(S)-cyclobutyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride

C13H20ClNO2 — CID 171218784

IUPAC(S)-cyclobutyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride
SMILESCOc1cccc([C@@H](N)C2CCC2)c1OC.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-15-11-8-4-7-10(13(11)16-2)12(14)9-5-3-6-9;/h4,7-9,12H,3,5-6,14H2,1-2H3;1H/t12-;/m0./s1
InChIKeyUHQQSQNNIVNNMR-YDALLXLXSA-N
MW257.76 g/mol
LogP2.93
Rot. Bonds4

About (S)-cyclobutyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride

(S)-cyclobutyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride (PubChem CID 171218784) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is (S)-cyclobutyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclobutyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride
PubChem CID171218784
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name(S)-cyclobutyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride
SMILESCOc1cccc([C@@H](N)C2CCC2)c1OC.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-15-11-8-4-7-10(13(11)16-2)12(14)9-5-3-6-9;/h4,7-9,12H,3,5-6,14H2,1-2H3;1H/t12-;/m0./s1
InChIKeyUHQQSQNNIVNNMR-YDALLXLXSA-N
XLogP2.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 171218788
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine
CID 82291299
(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methanamine
CID 171219387
(1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol
CID 171162145
(S)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methanamine
CID 131440306
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
2-[(S)-amino(cyclohexyl)methyl]-6-methoxyphenol
CID 171231900
(R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine;hydrochloride
CID 171201747
(R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine
CID 131184271
(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclohexylmethanamine
CID 171202015
(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65423601

Frequently Asked Questions

What is the IUPAC name of (S)-cyclobutyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (S)-cyclobutyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride (CID 171218784) is (S)-cyclobutyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclobutyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (S)-cyclobutyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride is COc1cccc([C@@H](N)C2CCC2)c1OC.Cl.
What is the InChIKey of (S)-cyclobutyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride?
The InChIKey is UHQQSQNNIVNNMR-YDALLXLXSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/c1-15-11-8-4-7-10(13(11)16-2)12(14)9-5-3-6-9;/h4,7-9,12H,3,5-6,14H2,1-2H3;1H/t12-;/m0./s1.
What are the key properties of (S)-cyclobutyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride?
(S)-cyclobutyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclobutyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171218784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).