1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride

C12H17ClN2O — CID 2965218

IUPAC1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride
SMILESCOc1ccc2c(CC(C)N)c[nH]c2c1.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-8(13)5-9-7-14-12-6-10(15-2)3-4-11(9)12;/h3-4,6-8,14H,5,13H2,1-2H3;1H
InChIKeyGCVLNNTZRMTRQR-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.49
Rot. Bonds3

About 1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride

1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride (PubChem CID 2965218) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride
PubChem CID2965218
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride
SMILESCOc1ccc2c(CC(C)N)c[nH]c2c1.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-8(13)5-9-7-14-12-6-10(15-2)3-4-11(9)12;/h3-4,6-8,14H,5,13H2,1-2H3;1H
InChIKeyGCVLNNTZRMTRQR-UHFFFAOYSA-N
XLogP2.49
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 117067481
6-methoxy-3-(3-methylpentyl)-1H-indole
CID 156642145
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
2-fluoro-N-[1-(6-methoxy-1H-indol-3-yl)propan-2-yl]-2-methylpropan-1-amine
CID 130300765
4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine
CID 19837016
2-acetamido-3-(6-methoxy-1H-indol-3-yl)propanoic acid
CID 22309405
3-(6-methoxy-1H-indol-3-yl)propanenitrile
CID 82491461
3-(2-aminopropyl)-1H-indole-6-carboxylic acid
CID 23071145
1,1,1-trifluoro-3-(5-methoxy-1H-indol-3-yl)propan-2-amine
CID 135044105
(2S)-2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 175665456
6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole
CID 82497673
6-methoxy-3-(2-nitroethyl)-1H-indole
CID 71331242

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride (CID 2965218) is 1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride is COc1ccc2c(CC(C)N)c[nH]c2c1.Cl.
What is the InChIKey of 1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride?
The InChIKey is GCVLNNTZRMTRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.ClH/c1-8(13)5-9-7-14-12-6-10(15-2)3-4-11(9)12;/h3-4,6-8,14H,5,13H2,1-2H3;1H.
What are the key properties of 1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride?
1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride is sourced from PubChem (CID 2965218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).