3-[[2-(dimethylamino)phenyl]methyl]-1H-indol-4-ol;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-phenylmethanamine

C35H38N4O — CID 69376644

IUPAC3-[[2-(dimethylamino)phenyl]methyl]-1H-indol-4-ol;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-phenylmethanamine
SMILESCN(C)c1ccccc1Cc1c[nH]c2cccc(O)c12.Cc1[nH]c2ccccc2c1C(c1ccccc1)N(C)C
InChIInChI=1S/C18H20N2.C17H18N2O/c1-13-17(15-11-7-8-12-16(15)19-13)18(20(2)3)14-9-5-4-6-10-14;1-19(2)15-8-4-3-6-12(15)10-13-11-18-14-7-5-9-16(20)17(13)14/h4-12,18-19H,1-3H3;3-9,11,18,20H,10H2,1-2H3
InChIKeyBRBQXUHWQONOPD-UHFFFAOYSA-N
MW530.72 g/mol
LogP7.66
Rot. Bonds6

About 3-[[2-(dimethylamino)phenyl]methyl]-1H-indol-4-ol;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-phenylmethanamine

3-[[2-(dimethylamino)phenyl]methyl]-1H-indol-4-ol;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-phenylmethanamine (PubChem CID 69376644) has the molecular formula C35H38N4O and a molecular weight of 530.72 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)phenyl]methyl]-1H-indol-4-ol;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-phenylmethanamine.

Molecular Properties

Compound Name3-[[2-(dimethylamino)phenyl]methyl]-1H-indol-4-ol;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-phenylmethanamine
PubChem CID69376644
Molecular FormulaC35H38N4O
Molecular Weight530.72 g/mol
Exact Mass530.30
IUPAC Name3-[[2-(dimethylamino)phenyl]methyl]-1H-indol-4-ol;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-phenylmethanamine
SMILESCN(C)c1ccccc1Cc1c[nH]c2cccc(O)c12.Cc1[nH]c2ccccc2c1C(c1ccccc1)N(C)C
InChIInChI=1S/C18H20N2.C17H18N2O/c1-13-17(15-11-7-8-12-16(15)19-13)18(20(2)3)14-9-5-4-6-10-14;1-19(2)15-8-4-3-6-12(15)10-13-11-18-14-7-5-9-16(20)17(13)14/h4-12,18-19H,1-3H3;3-9,11,18,20H,10H2,1-2H3
InChIKeyBRBQXUHWQONOPD-UHFFFAOYSA-N
XLogP7.66
TPSA58.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.72
LogP ≤ 57.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[2-(dimethylamino)phenyl]methyl]-1H-indol-4-ol;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[dimethylamino-(2-methyl-1H-indol-3-yl)methyl]benzoic acid
CID 110453404
4-[bis(2-methyl-1H-indol-3-yl)methyl]-N,N-dimethylaniline
CID 2848664
2-(dimethylamino)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 116914751
3-(dimethylamino)-3-(2-methyl-1H-indol-3-yl)propan-1-ol
CID 116907669
N,N,N'-trimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
CID 116905269
(4R)-4-(2-methyl-1H-indol-3-yl)-4-phenylbutan-2-one
CID 101252963
(2R,3S)-3-(2-methyl-1H-indol-3-yl)-3-phenylpropane-1,2-diol
CID 102355251
N,N,3-trimethyl-1H-indol-4-amine
CID 71336754
1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol
CID 116830002
4-[diethylamino-(2-methyl-1H-indol-3-yl)methyl]benzene-1,3-diol
CID 110453378
N-benzhydryl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 52506914
7-[dimethylamino-(2-methyl-1H-indol-3-yl)methyl]quinolin-8-ol
CID 110453423

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)phenyl]methyl]-1H-indol-4-ol;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-phenylmethanamine?
The IUPAC name of 3-[[2-(dimethylamino)phenyl]methyl]-1H-indol-4-ol;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-phenylmethanamine (CID 69376644) is 3-[[2-(dimethylamino)phenyl]methyl]-1H-indol-4-ol;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-phenylmethanamine.
What is the SMILES notation for 3-[[2-(dimethylamino)phenyl]methyl]-1H-indol-4-ol;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-phenylmethanamine?
The canonical SMILES for 3-[[2-(dimethylamino)phenyl]methyl]-1H-indol-4-ol;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-phenylmethanamine is CN(C)c1ccccc1Cc1c[nH]c2cccc(O)c12.Cc1[nH]c2ccccc2c1C(c1ccccc1)N(C)C.
What is the InChIKey of 3-[[2-(dimethylamino)phenyl]methyl]-1H-indol-4-ol;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-phenylmethanamine?
The InChIKey is BRBQXUHWQONOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2.C17H18N2O/c1-13-17(15-11-7-8-12-16(15)19-13)18(20(2)3)14-9-5-4-6-10-14;1-19(2)15-8-4-3-6-12(15)10-13-11-18-14-7-5-9-16(20)17(13)14/h4-12,18-19H,1-3H3;3-9,11,18,20H,10H2,1-2H3.
What are the key properties of 3-[[2-(dimethylamino)phenyl]methyl]-1H-indol-4-ol;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-phenylmethanamine?
3-[[2-(dimethylamino)phenyl]methyl]-1H-indol-4-ol;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-phenylmethanamine has a molecular weight of 530.72 g/mol, XLogP of 7.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)phenyl]methyl]-1H-indol-4-ol;N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)-1-phenylmethanamine is sourced from PubChem (CID 69376644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).