3-(1H-indol-3-yl)-2-(2-methylphenyl)propan-1-amine

C18H20N2 — CID 82091562

IUPAC3-(1H-indol-3-yl)-2-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1C(CN)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H20N2/c1-13-6-2-3-7-16(13)14(11-19)10-15-12-20-18-9-5-4-8-17(15)18/h2-9,12,14,20H,10-11,19H2,1H3
InChIKeyDRWVGAQESWMZCQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.76
Rot. Bonds4

About 3-(1H-indol-3-yl)-2-(2-methylphenyl)propan-1-amine

3-(1H-indol-3-yl)-2-(2-methylphenyl)propan-1-amine (PubChem CID 82091562) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-(2-methylphenyl)propan-1-amine
PubChem CID82091562
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name3-(1H-indol-3-yl)-2-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1C(CN)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H20N2/c1-13-6-2-3-7-16(13)14(11-19)10-15-12-20-18-9-5-4-8-17(15)18/h2-9,12,14,20H,10-11,19H2,1H3
InChIKeyDRWVGAQESWMZCQ-UHFFFAOYSA-N
XLogP3.76
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propan-1-amine
CID 83977083
3-(1H-indol-3-yl)-2-(2,3,4-trimethoxyphenyl)propan-1-amine
CID 83975126
2-fluoro-3-(1H-indol-3-yl)propan-1-amine
CID 134163133
3-(2-fluoropropyl)-1H-indole
CID 142409179
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
1-(1H-indol-3-yl)butan-2-amine
CID 8367
3-(2,4-diethoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine
CID 83976344
CID 90360713
CID 90360713
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide
CID 51164456
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
(2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140726561

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-(2-methylphenyl)propan-1-amine?
The IUPAC name of 3-(1H-indol-3-yl)-2-(2-methylphenyl)propan-1-amine (CID 82091562) is 3-(1H-indol-3-yl)-2-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(1H-indol-3-yl)-2-(2-methylphenyl)propan-1-amine is Cc1ccccc1C(CN)Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-2-(2-methylphenyl)propan-1-amine?
The InChIKey is DRWVGAQESWMZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-13-6-2-3-7-16(13)14(11-19)10-15-12-20-18-9-5-4-8-17(15)18/h2-9,12,14,20H,10-11,19H2,1H3.
What are the key properties of 3-(1H-indol-3-yl)-2-(2-methylphenyl)propan-1-amine?
3-(1H-indol-3-yl)-2-(2-methylphenyl)propan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 82091562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).