2-(1H-indol-3-yl)-N,N-dimethyl-1-phenylmethoxyethanamine

C19H22N2O — CID 163609227

IUPAC2-(1H-indol-3-yl)-N,N-dimethyl-1-phenylmethoxyethanamine
SMILESCN(C)C(Cc1c[nH]c2ccccc12)OCc1ccccc1
InChIInChI=1S/C19H22N2O/c1-21(2)19(22-14-15-8-4-3-5-9-15)12-16-13-20-18-11-7-6-10-17(16)18/h3-11,13,19-20H,12,14H2,1-2H3
InChIKeyHELUTFGNJXNTCA-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.81
Rot. Bonds6

About 2-(1H-indol-3-yl)-N,N-dimethyl-1-phenylmethoxyethanamine

2-(1H-indol-3-yl)-N,N-dimethyl-1-phenylmethoxyethanamine (PubChem CID 163609227) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N,N-dimethyl-1-phenylmethoxyethanamine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N,N-dimethyl-1-phenylmethoxyethanamine
PubChem CID163609227
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-(1H-indol-3-yl)-N,N-dimethyl-1-phenylmethoxyethanamine
SMILESCN(C)C(Cc1c[nH]c2ccccc12)OCc1ccccc1
InChIInChI=1S/C19H22N2O/c1-21(2)19(22-14-15-8-4-3-5-9-15)12-16-13-20-18-11-7-6-10-17(16)18/h3-11,13,19-20H,12,14H2,1-2H3
InChIKeyHELUTFGNJXNTCA-UHFFFAOYSA-N
XLogP3.81
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(2S)-3-(1H-indol-3-yl)-1-oxo-1-phenylmethoxypropan-2-yl]azanium chloride
CID 10980445
benzyl 2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride
CID 3084617
benzyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride
CID 44629900
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
3-(2,2-diethoxyethyl)-1H-indole
CID 13270992
benzyl (2S)-2-azido-3-(1H-indol-3-yl)propanoate
CID 11209404
3-(2-fluoropropyl)-1H-indole
CID 142409179
benzyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formic acid
CID 171634662
3-(1H-indol-3-yl)-2-methoxy-N,N-dimethylpropanamide
CID 163055572
(2R)-2-[ethyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 175558503
benzyl (2S,3R)-2-[bis[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoate
CID 174669600
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N,N-dimethyl-1-phenylmethoxyethanamine?
The IUPAC name of 2-(1H-indol-3-yl)-N,N-dimethyl-1-phenylmethoxyethanamine (CID 163609227) is 2-(1H-indol-3-yl)-N,N-dimethyl-1-phenylmethoxyethanamine.
What is the SMILES notation for 2-(1H-indol-3-yl)-N,N-dimethyl-1-phenylmethoxyethanamine?
The canonical SMILES for 2-(1H-indol-3-yl)-N,N-dimethyl-1-phenylmethoxyethanamine is CN(C)C(Cc1c[nH]c2ccccc12)OCc1ccccc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N,N-dimethyl-1-phenylmethoxyethanamine?
The InChIKey is HELUTFGNJXNTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-21(2)19(22-14-15-8-4-3-5-9-15)12-16-13-20-18-11-7-6-10-17(16)18/h3-11,13,19-20H,12,14H2,1-2H3.
What are the key properties of 2-(1H-indol-3-yl)-N,N-dimethyl-1-phenylmethoxyethanamine?
2-(1H-indol-3-yl)-N,N-dimethyl-1-phenylmethoxyethanamine has a molecular weight of 294.40 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N,N-dimethyl-1-phenylmethoxyethanamine is sourced from PubChem (CID 163609227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).