1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-[2-(trifluoromethyl)phenyl]methanamine;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-[4-(trifluoromethyl)phenyl]methanamine

C37H35ClF6N4 — CID 158300919

IUPAC1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-[2-(trifluoromethyl)phenyl]methanamine;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCN(C)C(c1ccccc1C(F)(F)F)c1c[nH]c2ccc(Cl)cc12.Cc1[nH]c2ccccc2c1C(c1ccc(C(F)(F)F)cc1)N(C)C
InChIInChI=1S/C19H19F3N2.C18H16ClF3N2/c1-12-17(15-6-4-5-7-16(15)23-12)18(24(2)3)13-8-10-14(11-9-13)19(20,21)22;1-24(2)17(12-5-3-4-6-15(12)18(20,21)22)14-10-23-16-8-7-11(19)9-13(14)16/h4-11,18,23H,1-3H3;3-10,17,23H,1-2H3
InChIKeyGMMHCOAMFYUENF-UHFFFAOYSA-N
MW685.16 g/mol
LogP10.64
Rot. Bonds6

About 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-[2-(trifluoromethyl)phenyl]methanamine;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-[4-(trifluoromethyl)phenyl]methanamine

1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-[2-(trifluoromethyl)phenyl]methanamine;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 158300919) has the molecular formula C37H35ClF6N4 and a molecular weight of 685.16 g/mol. Its IUPAC name is 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-[2-(trifluoromethyl)phenyl]methanamine;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-[2-(trifluoromethyl)phenyl]methanamine;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID158300919
Molecular FormulaC37H35ClF6N4
Molecular Weight685.16 g/mol
Exact Mass684.25
IUPAC Name1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-[2-(trifluoromethyl)phenyl]methanamine;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCN(C)C(c1ccccc1C(F)(F)F)c1c[nH]c2ccc(Cl)cc12.Cc1[nH]c2ccccc2c1C(c1ccc(C(F)(F)F)cc1)N(C)C
InChIInChI=1S/C19H19F3N2.C18H16ClF3N2/c1-12-17(15-6-4-5-7-16(15)23-12)18(24(2)3)13-8-10-14(11-9-13)19(20,21)22;1-24(2)17(12-5-3-4-6-15(12)18(20,21)22)14-10-23-16-8-7-11(19)9-13(14)16/h4-11,18,23H,1-3H3;3-10,17,23H,1-2H3
InChIKeyGMMHCOAMFYUENF-UHFFFAOYSA-N
XLogP10.64
TPSA38.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.16
LogP ≤ 510.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-[2-(trifluoromethyl)phenyl]methanamine;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-[4-(trifluoromethyl)phenyl]methanamine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-[2-(trifluoromethyl)phenyl]methanamine;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-[2-(trifluoromethyl)phenyl]methanamine;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-[4-(trifluoromethyl)phenyl]methanamine (CID 158300919) is 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-[2-(trifluoromethyl)phenyl]methanamine;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-[2-(trifluoromethyl)phenyl]methanamine;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-[2-(trifluoromethyl)phenyl]methanamine;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-[4-(trifluoromethyl)phenyl]methanamine is CN(C)C(c1ccccc1C(F)(F)F)c1c[nH]c2ccc(Cl)cc12.Cc1[nH]c2ccccc2c1C(c1ccc(C(F)(F)F)cc1)N(C)C.
What is the InChIKey of 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-[2-(trifluoromethyl)phenyl]methanamine;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is GMMHCOAMFYUENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2.C18H16ClF3N2/c1-12-17(15-6-4-5-7-16(15)23-12)18(24(2)3)13-8-10-14(11-9-13)19(20,21)22;1-24(2)17(12-5-3-4-6-15(12)18(20,21)22)14-10-23-16-8-7-11(19)9-13(14)16/h4-11,18,23H,1-3H3;3-10,17,23H,1-2H3.
What are the key properties of 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-[2-(trifluoromethyl)phenyl]methanamine;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-[4-(trifluoromethyl)phenyl]methanamine?
1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-[2-(trifluoromethyl)phenyl]methanamine;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 685.16 g/mol, XLogP of 10.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-[2-(trifluoromethyl)phenyl]methanamine;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 158300919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).