(S)-(2-chloro-6-methylphenyl)-cyclopropylmethanamine

C11H14ClN — CID 131023837

IUPAC(S)-(2-chloro-6-methylphenyl)-cyclopropylmethanamine
SMILESCc1cccc(Cl)c1[C@@H](N)C1CC1
InChIInChI=1S/C11H14ClN/c1-7-3-2-4-9(12)10(7)11(13)8-5-6-8/h2-4,8,11H,5-6,13H2,1H3/t11-/m0/s1
InChIKeyVSZOGPDMGRFXJJ-NSHDSACASA-N
MW195.69 g/mol
LogP3.06
Rot. Bonds2

About (S)-(2-chloro-6-methylphenyl)-cyclopropylmethanamine

(S)-(2-chloro-6-methylphenyl)-cyclopropylmethanamine (PubChem CID 131023837) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is (S)-(2-chloro-6-methylphenyl)-cyclopropylmethanamine.

Molecular Properties

Compound Name(S)-(2-chloro-6-methylphenyl)-cyclopropylmethanamine
PubChem CID131023837
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name(S)-(2-chloro-6-methylphenyl)-cyclopropylmethanamine
SMILESCc1cccc(Cl)c1[C@@H](N)C1CC1
InChIInChI=1S/C11H14ClN/c1-7-3-2-4-9(12)10(7)11(13)8-5-6-8/h2-4,8,11H,5-6,13H2,1H3/t11-/m0/s1
InChIKeyVSZOGPDMGRFXJJ-NSHDSACASA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171210736
cyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride
CID 119031584
2-[(R)-amino(cyclopropyl)methyl]-3-methylphenol
CID 130839880
(R)-cyclobutyl-(2,6-dimethylphenyl)methanamine
CID 130619614
(S)-cyclobutyl-(2,6-dichlorophenyl)methanamine
CID 130683085
(R)-cyclopentyl-(2,6-dichlorophenyl)methanamine
CID 171197935
(S)-cyclobutyl-(2,6-dimethylphenyl)methanamine
CID 131151319
(1S)-1-(2-chloro-6-methylphenyl)-2-cyclopropylethanamine
CID 131212960
cyclopropyl-(2-methoxy-6-methylphenyl)methanamine;hydrochloride
CID 167712997
(2-bromo-6-chlorophenyl)-cyclobutylmethanamine
CID 130166021
cyclopropyl-(2,3-dichlorophenyl)methanamine
CID 62789310
(1S)-1-(2-chloro-6-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171250005

Frequently Asked Questions

What is the IUPAC name of (S)-(2-chloro-6-methylphenyl)-cyclopropylmethanamine?
The IUPAC name of (S)-(2-chloro-6-methylphenyl)-cyclopropylmethanamine (CID 131023837) is (S)-(2-chloro-6-methylphenyl)-cyclopropylmethanamine.
What is the SMILES notation for (S)-(2-chloro-6-methylphenyl)-cyclopropylmethanamine?
The canonical SMILES for (S)-(2-chloro-6-methylphenyl)-cyclopropylmethanamine is Cc1cccc(Cl)c1[C@@H](N)C1CC1.
What is the InChIKey of (S)-(2-chloro-6-methylphenyl)-cyclopropylmethanamine?
The InChIKey is VSZOGPDMGRFXJJ-NSHDSACASA-N. The full InChI is InChI=1S/C11H14ClN/c1-7-3-2-4-9(12)10(7)11(13)8-5-6-8/h2-4,8,11H,5-6,13H2,1H3/t11-/m0/s1.
What are the key properties of (S)-(2-chloro-6-methylphenyl)-cyclopropylmethanamine?
(S)-(2-chloro-6-methylphenyl)-cyclopropylmethanamine has a molecular weight of 195.69 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-chloro-6-methylphenyl)-cyclopropylmethanamine is sourced from PubChem (CID 131023837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).