(S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride

C11H16ClN — CID 171229489

IUPAC(S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride
SMILESCc1cccc([C@@H](N)C2CC2)c1.Cl
InChIInChI=1S/C11H15N.ClH/c1-8-3-2-4-10(7-8)11(12)9-5-6-9;/h2-4,7,9,11H,5-6,12H2,1H3;1H/t11-;/m0./s1
InChIKeyKKDWGTDLYHVKLN-MERQFXBCSA-N
MW197.71 g/mol
LogP2.83
Rot. Bonds2

About (S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride

(S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride (PubChem CID 171229489) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is (S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride
PubChem CID171229489
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name(S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride
SMILESCc1cccc([C@@H](N)C2CC2)c1.Cl
InChIInChI=1S/C11H15N.ClH/c1-8-3-2-4-10(7-8)11(12)9-5-6-9;/h2-4,7,9,11H,5-6,12H2,1H3;1H/t11-;/m0./s1
InChIKeyKKDWGTDLYHVKLN-MERQFXBCSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bicyclo[3.1.0]hexanyl-(3-methylphenyl)methanamine
CID 115790226
(3-ethylcyclopentyl)-(3-methylphenyl)methanamine
CID 65410214
(3-methylphenyl)-(oxolan-3-yl)methanamine
CID 63564750
(3-bromophenyl)-cyclopropylmethanamine;hydrochloride
CID 166600425
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
(2,2-dimethylcyclopropyl)-(3-methylphenyl)methanamine
CID 107004134
O-[cyclopropyl-(3-methylphenyl)methyl]hydroxylamine
CID 143610202
(R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride
CID 171211996
(R)-cyclopropyl-(3-ethylphenyl)methanamine
CID 55277646
(S)-cyclopropyl-(3-ethylphenyl)methanamine
CID 131196510
(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 112756156
(3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79914518

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride?
The IUPAC name of (S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride (CID 171229489) is (S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride?
The canonical SMILES for (S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride is Cc1cccc([C@@H](N)C2CC2)c1.Cl.
What is the InChIKey of (S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride?
The InChIKey is KKDWGTDLYHVKLN-MERQFXBCSA-N. The full InChI is InChI=1S/C11H15N.ClH/c1-8-3-2-4-10(7-8)11(12)9-5-6-9;/h2-4,7,9,11H,5-6,12H2,1H3;1H/t11-;/m0./s1.
What are the key properties of (S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride?
(S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride has a molecular weight of 197.71 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171229489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).