2-(1H-indol-3-yl)-2-phenylpropan-1-amine

C17H18N2 — CID 102100966

IUPAC2-(1H-indol-3-yl)-2-phenylpropan-1-amine
SMILESCC(CN)(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H18N2/c1-17(12-18,13-7-3-2-4-8-13)15-11-19-16-10-6-5-9-14(15)16/h2-11,19H,12,18H2,1H3
InChIKeyDXNCFFNZTBJOLS-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.43
Rot. Bonds3

About 2-(1H-indol-3-yl)-2-phenylpropan-1-amine

2-(1H-indol-3-yl)-2-phenylpropan-1-amine (PubChem CID 102100966) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-2-phenylpropan-1-amine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-2-phenylpropan-1-amine
PubChem CID102100966
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name2-(1H-indol-3-yl)-2-phenylpropan-1-amine
SMILESCC(CN)(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H18N2/c1-17(12-18,13-7-3-2-4-8-13)15-11-19-16-10-6-5-9-14(15)16/h2-11,19H,12,18H2,1H3
InChIKeyDXNCFFNZTBJOLS-UHFFFAOYSA-N
XLogP3.43
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-nitro-2-phenylpropan-2-yl)-1H-indole
CID 102227073
2-fluoro-2-(1H-indol-3-yl)propan-1-amine
CID 83853895
2-(1H-indol-3-yl)propan-2-amine
CID 18668060
3-[1-methoxy-2-(4-methylphenyl)propan-2-yl]-1H-indole
CID 123342747
2-(1H-indol-3-yl)-2-methylpropanedioic acid
CID 70075508
(2S)-3-amino-1,1,1-trifluoro-2-(1H-indol-3-yl)propan-2-ol
CID 51922084
N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195611
3-[1,1-bis(1H-indol-3-yl)butyl]-1H-indole
CID 20847832
3-[1-(1H-indol-3-yl)-1-(4-methylphenyl)ethyl]-1H-indole
CID 72793438
3-(1,1-difluoropropyl)-1H-indole
CID 116841267
(2S)-2-amino-3-(1H-indol-3-yl)-2,3-dimethylbutanoic acid;silane
CID 159014454
2,2,2-tris(1H-indol-3-yl)ethanol
CID 146232723

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-2-phenylpropan-1-amine?
The IUPAC name of 2-(1H-indol-3-yl)-2-phenylpropan-1-amine (CID 102100966) is 2-(1H-indol-3-yl)-2-phenylpropan-1-amine.
What is the SMILES notation for 2-(1H-indol-3-yl)-2-phenylpropan-1-amine?
The canonical SMILES for 2-(1H-indol-3-yl)-2-phenylpropan-1-amine is CC(CN)(c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-2-phenylpropan-1-amine?
The InChIKey is DXNCFFNZTBJOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-17(12-18,13-7-3-2-4-8-13)15-11-19-16-10-6-5-9-14(15)16/h2-11,19H,12,18H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-2-phenylpropan-1-amine?
2-(1H-indol-3-yl)-2-phenylpropan-1-amine has a molecular weight of 250.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-2-phenylpropan-1-amine is sourced from PubChem (CID 102100966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).