2-(1,3-dimethylindol-2-yl)-2-phenylethanamine

C18H20N2 — CID 84639525

IUPAC2-(1,3-dimethylindol-2-yl)-2-phenylethanamine
SMILESCc1c(C(CN)c2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C18H20N2/c1-13-15-10-6-7-11-17(15)20(2)18(13)16(12-19)14-8-4-3-5-9-14/h3-11,16H,12,19H2,1-2H3
InChIKeyWPMWKGIHZYVYIQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.58
Rot. Bonds3

About 2-(1,3-dimethylindol-2-yl)-2-phenylethanamine

2-(1,3-dimethylindol-2-yl)-2-phenylethanamine (PubChem CID 84639525) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(1,3-dimethylindol-2-yl)-2-phenylethanamine.

Molecular Properties

Compound Name2-(1,3-dimethylindol-2-yl)-2-phenylethanamine
PubChem CID84639525
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2-(1,3-dimethylindol-2-yl)-2-phenylethanamine
SMILESCc1c(C(CN)c2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C18H20N2/c1-13-15-10-6-7-11-17(15)20(2)18(13)16(12-19)14-8-4-3-5-9-14/h3-11,16H,12,19H2,1-2H3
InChIKeyWPMWKGIHZYVYIQ-UHFFFAOYSA-N
XLogP3.58
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dimethylindol-2-yl)-N-methylethanamine
CID 83859797
1-methyl-3-nitroso-2-(1-phenylpropyl)indole
CID 155676884
2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
CID 12742686
diethyl 2-[2-(1,3-dimethylindol-2-yl)propyl]propanedioate
CID 100981876
ethane;1,2,3-trimethylindole
CID 91590745
(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol
CID 95438701
2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine
CID 82285579
ethane;tris(ethane-1,1-diol);tris(1,2,3-trimethylindole)
CID 160660144
1-(4-methylphenyl)-3-(1-phenylpropyl)indole
CID 102391084
2-(methoxymethyl)-1,3-dimethylindole
CID 101050705
ethane;bis(9-methylcarbazole)
CID 159710949
2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine
CID 112539162

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylindol-2-yl)-2-phenylethanamine?
The IUPAC name of 2-(1,3-dimethylindol-2-yl)-2-phenylethanamine (CID 84639525) is 2-(1,3-dimethylindol-2-yl)-2-phenylethanamine.
What is the SMILES notation for 2-(1,3-dimethylindol-2-yl)-2-phenylethanamine?
The canonical SMILES for 2-(1,3-dimethylindol-2-yl)-2-phenylethanamine is Cc1c(C(CN)c2ccccc2)n(C)c2ccccc12.
What is the InChIKey of 2-(1,3-dimethylindol-2-yl)-2-phenylethanamine?
The InChIKey is WPMWKGIHZYVYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-13-15-10-6-7-11-17(15)20(2)18(13)16(12-19)14-8-4-3-5-9-14/h3-11,16H,12,19H2,1-2H3.
What are the key properties of 2-(1,3-dimethylindol-2-yl)-2-phenylethanamine?
2-(1,3-dimethylindol-2-yl)-2-phenylethanamine has a molecular weight of 264.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylindol-2-yl)-2-phenylethanamine is sourced from PubChem (CID 84639525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).