N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine

C97H105ClF12N10O4 — CID 167566154

IUPACN-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine
SMILESCc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1cncn1C.Cc1ccccc1CN(Cc1cccnc1)CC(C)(C)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1cccnc1)CC1(COc2ccc(C(F)(F)F)cc2)CC1.Cn1cncc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl
InChIInChI=1S/C26H27F3N2O.C26H29F3N2O.C23H26F3N3O.C22H23ClF3N3O/c1-20-5-2-3-7-22(20)17-31(16-21-6-4-14-30-15-21)18-25(12-13-25)19-32-24-10-8-23(9-11-24)26(27,28)29;1-20-7-4-5-9-22(20)17-31(16-21-8-6-14-30-15-21)18-25(2,3)19-32-24-12-10-23(11-13-24)26(27,28)29;1-18-6-3-4-7-19(18)15-29(16-21-14-27-17-28(21)2)12-5-13-30-22-10-8-20(9-11-22)23(24,25)26;1-28-16-27-13-19(28)15-29(14-17-5-2-3-6-21(17)23)11-4-12-30-20-9-7-18(8-10-20)22(24,25)26/h2-11,14-15H,12-13,16-19H2,1H3;4-15H,16-19H2,1-3H3;3-4,6-11,14,17H,5,12-13,15-16H2,1-2H3;2-3,5-10,13,16H,4,11-12,14-15H2,1H3
InChIKeyFHSROQPYBMVJIB-UHFFFAOYSA-N
MW1738.40 g/mol
LogP23.57
Rot. Bonds36

About N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine

N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine (PubChem CID 167566154) has the molecular formula C97H105ClF12N10O4 and a molecular weight of 1738.40 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine
PubChem CID167566154
Molecular FormulaC97H105ClF12N10O4
Molecular Weight1738.40 g/mol
Exact Mass1736.78
IUPAC NameN-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine
SMILESCc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1cncn1C.Cc1ccccc1CN(Cc1cccnc1)CC(C)(C)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1cccnc1)CC1(COc2ccc(C(F)(F)F)cc2)CC1.Cn1cncc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl
InChIInChI=1S/C26H27F3N2O.C26H29F3N2O.C23H26F3N3O.C22H23ClF3N3O/c1-20-5-2-3-7-22(20)17-31(16-21-6-4-14-30-15-21)18-25(12-13-25)19-32-24-10-8-23(9-11-24)26(27,28)29;1-20-7-4-5-9-22(20)17-31(16-21-8-6-14-30-15-21)18-25(2,3)19-32-24-12-10-23(11-13-24)26(27,28)29;1-18-6-3-4-7-19(18)15-29(16-21-14-27-17-28(21)2)12-5-13-30-22-10-8-20(9-11-22)23(24,25)26;1-28-16-27-13-19(28)15-29(14-17-5-2-3-6-21(17)23)11-4-12-30-20-9-7-18(8-10-20)22(24,25)26/h2-11,14-15H,12-13,16-19H2,1H3;4-15H,16-19H2,1-3H3;3-4,6-11,14,17H,5,12-13,15-16H2,1-2H3;2-3,5-10,13,16H,4,11-12,14-15H2,1H3
InChIKeyFHSROQPYBMVJIB-UHFFFAOYSA-N
XLogP23.57
TPSA111.30 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds36
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001738.40
LogP ≤ 523.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine (CID 167566154) is N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine is Cc1ccccc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1cncn1C.Cc1ccccc1CN(Cc1cccnc1)CC(C)(C)COc1ccc(C(F)(F)F)cc1.Cc1ccccc1CN(Cc1cccnc1)CC1(COc2ccc(C(F)(F)F)cc2)CC1.Cn1cncc1CN(CCCOc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine?
The InChIKey is FHSROQPYBMVJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O.C26H29F3N2O.C23H26F3N3O.C22H23ClF3N3O/c1-20-5-2-3-7-22(20)17-31(16-21-6-4-14-30-15-21)18-25(12-13-25)19-32-24-10-8-23(9-11-24)26(27,28)29;1-20-7-4-5-9-22(20)17-31(16-21-8-6-14-30-15-21)18-25(2,3)19-32-24-12-10-23(11-13-24)26(27,28)29;1-18-6-3-4-7-19(18)15-29(16-21-14-27-17-28(21)2)12-5-13-30-22-10-8-20(9-11-22)23(24,25)26;1-28-16-27-13-19(28)15-29(14-17-5-2-3-6-21(17)23)11-4-12-30-20-9-7-18(8-10-20)22(24,25)26/h2-11,14-15H,12-13,16-19H2,1H3;4-15H,16-19H2,1-3H3;3-4,6-11,14,17H,5,12-13,15-16H2,1-2H3;2-3,5-10,13,16H,4,11-12,14-15H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine?
N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine has a molecular weight of 1738.40 g/mol, XLogP of 23.57, 36 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;2,2-dimethyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(3-methylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;N-[(2-methylphenyl)methyl]-1-pyridin-3-yl-N-[[1-[[4-(trifluoromethyl)phenoxy]methyl]cyclopropyl]methyl]methanamine is sourced from PubChem (CID 167566154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).