1-[4-(1H-indol-6-yl)phenyl]-N,N-dimethylmethanamine

C17H18N2 — CID 136575576

IUPAC1-[4-(1H-indol-6-yl)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(-c2ccc3cc[nH]c3c2)cc1
InChIInChI=1S/C17H18N2/c1-19(2)12-13-3-5-14(6-4-13)16-8-7-15-9-10-18-17(15)11-16/h3-11,18H,12H2,1-2H3
InChIKeyYKSZTZMVNKOQRZ-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.90
Rot. Bonds3

About 1-[4-(1H-indol-6-yl)phenyl]-N,N-dimethylmethanamine

1-[4-(1H-indol-6-yl)phenyl]-N,N-dimethylmethanamine (PubChem CID 136575576) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[4-(1H-indol-6-yl)phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-(1H-indol-6-yl)phenyl]-N,N-dimethylmethanamine
PubChem CID136575576
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name1-[4-(1H-indol-6-yl)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(-c2ccc3cc[nH]c3c2)cc1
InChIInChI=1S/C17H18N2/c1-19(2)12-13-3-5-14(6-4-13)16-8-7-15-9-10-18-17(15)11-16/h3-11,18H,12H2,1-2H3
InChIKeyYKSZTZMVNKOQRZ-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

6-(3,5-dimethylphenyl)-1H-indole
CID 169241911
6-pyridin-4-yl-1H-indole
CID 46315865
6-[4-[(dimethylamino)methyl]phenyl]naphthalen-2-ol
CID 50959857
6-(bromomethyl)-1H-indole
CID 22062878
1-[4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N,N-dimethylmethanamine
CID 46234665
6-(1H-pyrrol-3-yl)-1H-indole
CID 67416274
6-[4-[(Z)-3-(2-methylphenyl)but-2-enyl]phenyl]-1H-indole
CID 145465105
6-(3-chlorophenyl)-1H-indole
CID 22049229
N'-(1H-indol-6-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 102909185
N'-ethyl-N'-(1H-indol-6-ylmethyl)ethane-1,2-diamine
CID 103102150
2,6-difluoro-4-(1H-indol-6-yl)aniline
CID 19803477
N-[4-(1H-indol-6-yl)phenyl]sulfanyl-1-pyridin-4-ylmethanamine
CID 165409524

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indol-6-yl)phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-(1H-indol-6-yl)phenyl]-N,N-dimethylmethanamine (CID 136575576) is 1-[4-(1H-indol-6-yl)phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-(1H-indol-6-yl)phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-(1H-indol-6-yl)phenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(-c2ccc3cc[nH]c3c2)cc1.
What is the InChIKey of 1-[4-(1H-indol-6-yl)phenyl]-N,N-dimethylmethanamine?
The InChIKey is YKSZTZMVNKOQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-19(2)12-13-3-5-14(6-4-13)16-8-7-15-9-10-18-17(15)11-16/h3-11,18H,12H2,1-2H3.
What are the key properties of 1-[4-(1H-indol-6-yl)phenyl]-N,N-dimethylmethanamine?
1-[4-(1H-indol-6-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-[4-(1H-indol-6-yl)phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 136575576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).