1-[2-(1H-indol-3-yl)phenyl]-N,N-dimethylmethanamine

C17H18N2 — CID 174403598

IUPAC1-[2-(1H-indol-3-yl)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1-c1c[nH]c2ccccc12
InChIInChI=1S/C17H18N2/c1-19(2)12-13-7-3-4-8-14(13)16-11-18-17-10-6-5-9-15(16)17/h3-11,18H,12H2,1-2H3
InChIKeySTWZZAYPZYDJTO-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.90
Rot. Bonds3

About 1-[2-(1H-indol-3-yl)phenyl]-N,N-dimethylmethanamine

1-[2-(1H-indol-3-yl)phenyl]-N,N-dimethylmethanamine (PubChem CID 174403598) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)phenyl]-N,N-dimethylmethanamine
PubChem CID174403598
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name1-[2-(1H-indol-3-yl)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1-c1c[nH]c2ccccc12
InChIInChI=1S/C17H18N2/c1-19(2)12-13-7-3-4-8-14(13)16-11-18-17-10-6-5-9-15(16)17/h3-11,18H,12H2,1-2H3
InChIKeySTWZZAYPZYDJTO-UHFFFAOYSA-N
XLogP3.90
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-1-[2-(5-phenylmethoxy-1H-indol-3-yl)phenyl]methanamine
CID 174402839
1-[2-(1H-indol-3-ylsulfanyl)phenyl]-N,N-dimethylmethanamine
CID 11818392
1-[1-[4-(1H-indol-3-yl)-1-methylpyrrol-3-yl]indol-3-yl]-N,N-dimethylmethanamine
CID 70234390
[2-(1H-indol-3-yl)phenyl]methanesulfonamide
CID 143410357
7-ethyl-3-(1H-indol-3-yl)-1H-indole
CID 46901494
1-[2-(1H-indol-3-yl)phenyl]propan-1-one
CID 174611519
2-(1H-indol-3-yl)aniline
CID 25210227
3-[3-[(dimethylamino)methyl]indol-1-yl]-4-(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 15132380
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
methyl 2-(1H-indol-3-yl)benzoate
CID 67678189
N,N-dimethyl-1-[2-(4-methylphenyl)phenyl]methanamine
CID 21301167
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(1H-indol-3-yl)phenyl]-N,N-dimethylmethanamine (CID 174403598) is 1-[2-(1H-indol-3-yl)phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(1H-indol-3-yl)phenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccccc1-c1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(1H-indol-3-yl)phenyl]-N,N-dimethylmethanamine?
The InChIKey is STWZZAYPZYDJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-19(2)12-13-7-3-4-8-14(13)16-11-18-17-10-6-5-9-15(16)17/h3-11,18H,12H2,1-2H3.
What are the key properties of 1-[2-(1H-indol-3-yl)phenyl]-N,N-dimethylmethanamine?
1-[2-(1H-indol-3-yl)phenyl]-N,N-dimethylmethanamine has a molecular weight of 250.35 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 174403598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).