(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride

C13H20ClN — CID 171213154

IUPAC(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride
SMILESCc1ccc([C@H](N)C2CCC2)c(C)c1.Cl
InChIInChI=1S/C13H19N.ClH/c1-9-6-7-12(10(2)8-9)13(14)11-4-3-5-11;/h6-8,11,13H,3-5,14H2,1-2H3;1H/t13-;/m1./s1
InChIKeyOCZMTKXWJWYOEL-BTQNPOSSSA-N
MW225.76 g/mol
LogP3.53
Rot. Bonds2

About (R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride

(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride (PubChem CID 171213154) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is (R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride
PubChem CID171213154
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride
SMILESCc1ccc([C@H](N)C2CCC2)c(C)c1.Cl
InChIInChI=1S/C13H19N.ClH/c1-9-6-7-12(10(2)8-9)13(14)11-4-3-5-11;/h6-8,11,13H,3-5,14H2,1-2H3;1H/t13-;/m1./s1
InChIKeyOCZMTKXWJWYOEL-BTQNPOSSSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[amino-(2,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937234
(2,4-dimethylphenyl)-(3-ethylcyclohexyl)methanamine
CID 65415138
(2,4-dimethylphenyl)-piperidin-3-ylmethanamine
CID 116935781
2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
CID 130606689
cyclobutyl-(4-iodo-2-methylphenyl)methanamine
CID 130061284
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride
CID 171221506
(S)-(4-chloro-2-methylphenyl)-cyclopentylmethanamine
CID 131595762
cyclopentyl-(4-fluoro-2-methylphenyl)methanamine
CID 62790372
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine
CID 131545963
(S)-(2-bromo-4-methylphenyl)-cyclopentylmethanamine
CID 171221683
cyclobutyl-(2-fluoro-5-methylphenyl)methanamine
CID 64986676

Frequently Asked Questions

What is the IUPAC name of (R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride?
The IUPAC name of (R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride (CID 171213154) is (R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride?
The canonical SMILES for (R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride is Cc1ccc([C@H](N)C2CCC2)c(C)c1.Cl.
What is the InChIKey of (R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride?
The InChIKey is OCZMTKXWJWYOEL-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H19N.ClH/c1-9-6-7-12(10(2)8-9)13(14)11-4-3-5-11;/h6-8,11,13H,3-5,14H2,1-2H3;1H/t13-;/m1./s1.
What are the key properties of (R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride?
(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride has a molecular weight of 225.76 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171213154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).