1-(methylamino)-3-(3-phenylindol-1-yl)propan-2-ol

C18H20N2O — CID 91261190

IUPAC1-(methylamino)-3-(3-phenylindol-1-yl)propan-2-ol
SMILESCNCC(O)Cn1cc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C18H20N2O/c1-19-11-15(21)12-20-13-17(14-7-3-2-4-8-14)16-9-5-6-10-18(16)20/h2-10,13,15,19,21H,11-12H2,1H3
InChIKeyXRSXBSWMBDJTHJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.89
Rot. Bonds5

About 1-(methylamino)-3-(3-phenylindol-1-yl)propan-2-ol

1-(methylamino)-3-(3-phenylindol-1-yl)propan-2-ol (PubChem CID 91261190) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(methylamino)-3-(3-phenylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-(3-phenylindol-1-yl)propan-2-ol
PubChem CID91261190
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-(methylamino)-3-(3-phenylindol-1-yl)propan-2-ol
SMILESCNCC(O)Cn1cc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C18H20N2O/c1-19-11-15(21)12-20-13-17(14-7-3-2-4-8-14)16-9-5-6-10-18(16)20/h2-10,13,15,19,21H,11-12H2,1H3
InChIKeyXRSXBSWMBDJTHJ-UHFFFAOYSA-N
XLogP2.89
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(methylamino)-3-(3-phenylindol-1-yl)propan-2-ol 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

1-(3-phenylindol-1-yl)propan-2-amine
CID 154276065
1-(4-chloroindol-1-yl)-3-(methylamino)propan-2-ol
CID 141278113
(2R)-1-(methylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 1096351
2-[[2-hydroxy-3-[3-[(E)-hydroxyiminomethyl]indol-1-yl]propyl]amino]butanoic acid
CID 71683435
3-(3-phenylindol-1-yl)propan-1-amine
CID 15134122
3-phenyl-1-[2-[(E)-prop-1-enoxy]ethyl]indole
CID 134842217
1-(2-iodophenyl)-2-(3-phenylindol-1-yl)ethanone
CID 146509223
5-[2-hydroxy-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734857
[1-[(2R)-2,3-dihydroxypropyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11681218
2-[3-(dimethylamino)-2-methylpropyl]-4-phenylisoquinolin-1-one
CID 12812996
ethyl 3-phenylindole-1-carboxylate
CID 69433290
(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol
CID 42223809

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(3-phenylindol-1-yl)propan-2-ol?
The IUPAC name of 1-(methylamino)-3-(3-phenylindol-1-yl)propan-2-ol (CID 91261190) is 1-(methylamino)-3-(3-phenylindol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-(3-phenylindol-1-yl)propan-2-ol?
The canonical SMILES for 1-(methylamino)-3-(3-phenylindol-1-yl)propan-2-ol is CNCC(O)Cn1cc(-c2ccccc2)c2ccccc21.
What is the InChIKey of 1-(methylamino)-3-(3-phenylindol-1-yl)propan-2-ol?
The InChIKey is XRSXBSWMBDJTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-19-11-15(21)12-20-13-17(14-7-3-2-4-8-14)16-9-5-6-10-18(16)20/h2-10,13,15,19,21H,11-12H2,1H3.
What are the key properties of 1-(methylamino)-3-(3-phenylindol-1-yl)propan-2-ol?
1-(methylamino)-3-(3-phenylindol-1-yl)propan-2-ol has a molecular weight of 280.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(3-phenylindol-1-yl)propan-2-ol is sourced from PubChem (CID 91261190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).