1-(5-methyl-2-phenyl-1H-indol-3-yl)ethanamine

C17H18N2 — CID 82023991

IUPAC1-(5-methyl-2-phenyl-1H-indol-3-yl)ethanamine
SMILESCc1ccc2[nH]c(-c3ccccc3)c(C(C)N)c2c1
InChIInChI=1S/C17H18N2/c1-11-8-9-15-14(10-11)16(12(2)18)17(19-15)13-6-4-3-5-7-13/h3-10,12,19H,18H2,1-2H3
InChIKeyOIYVNBWHEJGCGO-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.16
Rot. Bonds2

About 1-(5-methyl-2-phenyl-1H-indol-3-yl)ethanamine

1-(5-methyl-2-phenyl-1H-indol-3-yl)ethanamine (PubChem CID 82023991) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(5-methyl-2-phenyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-methyl-2-phenyl-1H-indol-3-yl)ethanamine
PubChem CID82023991
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name1-(5-methyl-2-phenyl-1H-indol-3-yl)ethanamine
SMILESCc1ccc2[nH]c(-c3ccccc3)c(C(C)N)c2c1
InChIInChI=1S/C17H18N2/c1-11-8-9-15-14(10-11)16(12(2)18)17(19-15)13-6-4-3-5-7-13/h3-10,12,19H,18H2,1-2H3
InChIKeyOIYVNBWHEJGCGO-UHFFFAOYSA-N
XLogP4.16
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-fluoro-2-phenyl-1H-indol-3-yl)ethanamine
CID 82023996
1-(5-methoxy-2-phenyl-1H-indol-3-yl)ethanamine
CID 82024001
3,5-dimethyl-2-phenyl-1H-indole;ethane
CID 91536614
(3E,4Z)-3-ethylidene-2-(5-methyl-2-phenyl-1H-indol-3-yl)hepta-4,6-dien-1-amine
CID 135248305
(2S)-2-aminopropanoic acid;2-methyl-10H-acridin-9-one
CID 157209438
3,6-dimethyl-9H-carbazole
CID 144942624
benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole
CID 143905034
6-methyl-3-[(6-methyl-2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole
CID 166069538
(1S)-1-(2-phenyl-1H-indol-3-yl)propan-1-ol
CID 82758235
2-[(R)-(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile
CID 118908788
methyl (2R)-2-(2-phenyl-1H-indol-3-yl)propanoate
CID 146165176
6-methyl-2-phenyl-3-phenylsulfanyl-1H-indole
CID 138969708

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-phenyl-1H-indol-3-yl)ethanamine?
The IUPAC name of 1-(5-methyl-2-phenyl-1H-indol-3-yl)ethanamine (CID 82023991) is 1-(5-methyl-2-phenyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-methyl-2-phenyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for 1-(5-methyl-2-phenyl-1H-indol-3-yl)ethanamine is Cc1ccc2[nH]c(-c3ccccc3)c(C(C)N)c2c1.
What is the InChIKey of 1-(5-methyl-2-phenyl-1H-indol-3-yl)ethanamine?
The InChIKey is OIYVNBWHEJGCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-11-8-9-15-14(10-11)16(12(2)18)17(19-15)13-6-4-3-5-7-13/h3-10,12,19H,18H2,1-2H3.
What are the key properties of 1-(5-methyl-2-phenyl-1H-indol-3-yl)ethanamine?
1-(5-methyl-2-phenyl-1H-indol-3-yl)ethanamine has a molecular weight of 250.34 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-phenyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 82023991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).