(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine

C12H16ClN — CID 99737681

IUPAC(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
SMILESCc1ccc([C@@H](N)C2CCC2)c(Cl)c1
InChIInChI=1S/C12H16ClN/c1-8-5-6-10(11(13)7-8)12(14)9-3-2-4-9/h5-7,9,12H,2-4,14H2,1H3/t12-/m0/s1
InChIKeyYYCWUQYWXAXDGM-LBPRGKRZSA-N
MW209.72 g/mol
LogP3.45
Rot. Bonds2

About (S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine

(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine (PubChem CID 99737681) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is (S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine.

Molecular Properties

Compound Name(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
PubChem CID99737681
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
SMILESCc1ccc([C@@H](N)C2CCC2)c(Cl)c1
InChIInChI=1S/C12H16ClN/c1-8-5-6-10(11(13)7-8)12(14)9-3-2-4-9/h5-7,9,12H,2-4,14H2,1H3/t12-/m0/s1
InChIKeyYYCWUQYWXAXDGM-LBPRGKRZSA-N
XLogP3.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4-methylphenyl)-cycloheptylmethanamine
CID 106858433
(2-chloro-4-methylphenyl)-cyclopropylmethanamine
CID 55268482
(R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171204069
(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride
CID 171213154
(2-chloro-4-methylphenyl)-(oxolan-3-yl)methanamine
CID 106857610
2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
CID 130606689
(2-chloro-4,5-dimethylphenyl)-cyclobutylmethanamine
CID 115483752
(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine
CID 171223645
(S)-(2-bromo-4-methylphenyl)-cyclopentylmethanamine
CID 171221683
cyclobutyl-(2-fluoro-5-methylphenyl)methanamine
CID 64986676
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine
CID 131545963
2-[(R)-amino(cyclobutyl)methyl]-4-methylphenol
CID 130715159

Frequently Asked Questions

What is the IUPAC name of (S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine?
The IUPAC name of (S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine (CID 99737681) is (S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine.
What is the SMILES notation for (S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine?
The canonical SMILES for (S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine is Cc1ccc([C@@H](N)C2CCC2)c(Cl)c1.
What is the InChIKey of (S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine?
The InChIKey is YYCWUQYWXAXDGM-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16ClN/c1-8-5-6-10(11(13)7-8)12(14)9-3-2-4-9/h5-7,9,12H,2-4,14H2,1H3/t12-/m0/s1.
What are the key properties of (S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine?
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine has a molecular weight of 209.72 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine is sourced from PubChem (CID 99737681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).