1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)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-methylphenyl)methanamine

C55H57Cl2F3N6 — CID 161480055

IUPAC1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)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-methylphenyl)methanamine
SMILESCN(C)C(c1ccccc1C(F)(F)F)c1c[nH]c2ccc(Cl)cc12.Cc1ccc(C(c2c(C)[nH]c3ccccc23)N(C)C)cc1.Cc1ccc(C(c2c[nH]c3ccc(Cl)cc23)N(C)C)cc1
InChIInChI=1S/C19H22N2.C18H16ClF3N2.C18H19ClN2/c1-13-9-11-15(12-10-13)19(21(3)4)18-14(2)20-17-8-6-5-7-16(17)18;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;1-12-4-6-13(7-5-12)18(21(2)3)16-11-20-17-9-8-14(19)10-15(16)17/h5-12,19-20H,1-4H3;3-10,17,23H,1-2H3;4-11,18,20H,1-3H3
InChIKeyWEFUTCQWDDGPRT-UHFFFAOYSA-N
MW930.00 g/mol
LogP14.71
Rot. Bonds9

About 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)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-methylphenyl)methanamine

1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)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-methylphenyl)methanamine (PubChem CID 161480055) has the molecular formula C55H57Cl2F3N6 and a molecular weight of 930.00 g/mol. Its IUPAC name is 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)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-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)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-methylphenyl)methanamine
PubChem CID161480055
Molecular FormulaC55H57Cl2F3N6
Molecular Weight930.00 g/mol
Exact Mass928.40
IUPAC Name1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)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-methylphenyl)methanamine
SMILESCN(C)C(c1ccccc1C(F)(F)F)c1c[nH]c2ccc(Cl)cc12.Cc1ccc(C(c2c(C)[nH]c3ccccc23)N(C)C)cc1.Cc1ccc(C(c2c[nH]c3ccc(Cl)cc23)N(C)C)cc1
InChIInChI=1S/C19H22N2.C18H16ClF3N2.C18H19ClN2/c1-13-9-11-15(12-10-13)19(21(3)4)18-14(2)20-17-8-6-5-7-16(17)18;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;1-12-4-6-13(7-5-12)18(21(2)3)16-11-20-17-9-8-14(19)10-15(16)17/h5-12,19-20H,1-4H3;3-10,17,23H,1-2H3;4-11,18,20H,1-3H3
InChIKeyWEFUTCQWDDGPRT-UHFFFAOYSA-N
XLogP14.71
TPSA57.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.00
LogP ≤ 514.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(4-methylphenyl)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-methylphenyl)methanamine with MolForge

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Related Compounds

1H-Indole, 3,3'-methylenebis[5-chloro-
CID 9901435
5-Chloro-3-[cis-4-[4-(1H-indol-4-yl)-1-piperazinyl]-cyclohexyl]-1H-indole
CID 10113692
Indimicin B
CID 86342739
6-chloro-2-[[4-[(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)methyl]phenyl]methyl]-9H-pyrido[3,4-b]indol-2-ium dichloride
CID 44578518
6-chloro-2-[[4-[4-[(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)methyl]phenyl]phenyl]methyl]-9H-pyrido[3,4-b]indol-2-ium dichloride
CID 44578522
5-chloro-3-[6-(5-chloro-1H-indol-3-yl)-2-pyridyl]-1H-indole
CID 134817075
5-chloro-3-(1H-indol-2-ylmethyl)-1H-indole
CID 118709594
Indimicin A
CID 86342557
Indimicin C
CID 86342740
Indimicin D
CID 86342741
Indimicin E
CID 86342742
3-(1-Benzylpyrrolidin-2-yl)-5-chloro-1H-indole--hydrogen chloride (1/1)
CID 29440

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)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-methylphenyl)methanamine?
The IUPAC name of 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)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-methylphenyl)methanamine (CID 161480055) is 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)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-methylphenyl)methanamine.
What is the SMILES notation for 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)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-methylphenyl)methanamine?
The canonical SMILES for 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)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-methylphenyl)methanamine is CN(C)C(c1ccccc1C(F)(F)F)c1c[nH]c2ccc(Cl)cc12.Cc1ccc(C(c2c(C)[nH]c3ccccc23)N(C)C)cc1.Cc1ccc(C(c2c[nH]c3ccc(Cl)cc23)N(C)C)cc1.
What is the InChIKey of 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)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-methylphenyl)methanamine?
The InChIKey is WEFUTCQWDDGPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2.C18H16ClF3N2.C18H19ClN2/c1-13-9-11-15(12-10-13)19(21(3)4)18-14(2)20-17-8-6-5-7-16(17)18;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;1-12-4-6-13(7-5-12)18(21(2)3)16-11-20-17-9-8-14(19)10-15(16)17/h5-12,19-20H,1-4H3;3-10,17,23H,1-2H3;4-11,18,20H,1-3H3.
What are the key properties of 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)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-methylphenyl)methanamine?
1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)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-methylphenyl)methanamine has a molecular weight of 930.00 g/mol, XLogP of 14.71, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-(4-methylphenyl)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-methylphenyl)methanamine is sourced from PubChem (CID 161480055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).