2-(5-methoxy-1H-indol-2-yl)propan-1-amine

C12H16N2O — CID 82609174

IUPAC2-(5-methoxy-1H-indol-2-yl)propan-1-amine
SMILESCOc1ccc2[nH]c(C(C)CN)cc2c1
InChIInChI=1S/C12H16N2O/c1-8(7-13)12-6-9-5-10(15-2)3-4-11(9)14-12/h3-6,8,14H,7,13H2,1-2H3
InChIKeyFUOMXSHKMYWBNF-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.24
Rot. Bonds3

About 2-(5-methoxy-1H-indol-2-yl)propan-1-amine

2-(5-methoxy-1H-indol-2-yl)propan-1-amine (PubChem CID 82609174) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-2-yl)propan-1-amine
PubChem CID82609174
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(5-methoxy-1H-indol-2-yl)propan-1-amine
SMILESCOc1ccc2[nH]c(C(C)CN)cc2c1
InChIInChI=1S/C12H16N2O/c1-8(7-13)12-6-9-5-10(15-2)3-4-11(9)14-12/h3-6,8,14H,7,13H2,1-2H3
InChIKeyFUOMXSHKMYWBNF-UHFFFAOYSA-N
XLogP2.24
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methoxy-1H-indol-2-yl)ethanamine
CID 11217728
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 93286235
5-methoxy-1H-indole-2-thiol
CID 119094198
methyl 2-amino-3-(5-methoxy-1H-indol-2-yl)propanoate
CID 68805241
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
(5-methoxy-1H-indol-2-yl)methyl acetate
CID 22766960
3-amino-6-methoxy-1H-quinolin-2-one
CID 115018057
14-(5-methoxy-1H-indol-2-yl)tetradecan-1-ol
CID 23073452
3-(5-methoxy-1H-indol-2-yl)propanoic acid
CID 18987712
5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide
CID 6926471
2-ethenyl-5-methoxy-1H-indole
CID 11844226
5-methoxy-2-(1H-pyrazol-5-yl)-1H-indole
CID 135496116

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-2-yl)propan-1-amine?
The IUPAC name of 2-(5-methoxy-1H-indol-2-yl)propan-1-amine (CID 82609174) is 2-(5-methoxy-1H-indol-2-yl)propan-1-amine.
What is the SMILES notation for 2-(5-methoxy-1H-indol-2-yl)propan-1-amine?
The canonical SMILES for 2-(5-methoxy-1H-indol-2-yl)propan-1-amine is COc1ccc2[nH]c(C(C)CN)cc2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-2-yl)propan-1-amine?
The InChIKey is FUOMXSHKMYWBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(7-13)12-6-9-5-10(15-2)3-4-11(9)14-12/h3-6,8,14H,7,13H2,1-2H3.
What are the key properties of 2-(5-methoxy-1H-indol-2-yl)propan-1-amine?
2-(5-methoxy-1H-indol-2-yl)propan-1-amine has a molecular weight of 204.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-2-yl)propan-1-amine is sourced from PubChem (CID 82609174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).