(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride

C14H21ClN2O — CID 171199729

IUPAC(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1c[nH]c2ccc(OC)cc12.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-3-4-5-13(15)12-9-16-14-7-6-10(17-2)8-11(12)14;/h6-9,13,16H,3-5,15H2,1-2H3;1H/t13-;/m1./s1
InChIKeyAGQVZZQCLJMSQE-BTQNPOSSSA-N
MW268.79 g/mol
LogP3.79
Rot. Bonds5

About (1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride

(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride (PubChem CID 171199729) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is (1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride
PubChem CID171199729
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1c[nH]c2ccc(OC)cc12.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-3-4-5-13(15)12-9-16-14-7-6-10(17-2)8-11(12)14;/h6-9,13,16H,3-5,15H2,1-2H3;1H/t13-;/m1./s1
InChIKeyAGQVZZQCLJMSQE-BTQNPOSSSA-N
XLogP3.79
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine
CID 171199728
(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760
(1R)-1-(5-bromo-1H-indol-3-yl)pentan-1-amine
CID 171206282
ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171199762
ethyl (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171219289
(1R)-1-(5-methoxy-1H-indol-3-yl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171199753
5-methoxy-3-[(1S)-1-piperazin-1-ylpentyl]-1H-indole
CID 171308695
(3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol
CID 46914834
(1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride
CID 171197968
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764
(1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride
CID 171233420
(1R)-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171200074

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride (CID 171199729) is (1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride is CCCC[C@@H](N)c1c[nH]c2ccc(OC)cc12.Cl.
What is the InChIKey of (1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride?
The InChIKey is AGQVZZQCLJMSQE-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-3-4-5-13(15)12-9-16-14-7-6-10(17-2)8-11(12)14;/h6-9,13,16H,3-5,15H2,1-2H3;1H/t13-;/m1./s1.
What are the key properties of (1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride?
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride is sourced from PubChem (CID 171199729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).