trans-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride

C10H14ClN — CID 170914369

IUPACtrans-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride
SMILESCc1cccc([C@@H]2C[C@H]2N)c1.Cl
InChIInChI=1S/C10H13N.ClH/c1-7-3-2-4-8(5-7)9-6-10(9)11;/h2-5,9-10H,6,11H2,1H3;1H/t9-,10+;/m0./s1
InChIKeyIGYVKJKCNPFDNY-BAUSSPIASA-N
MW183.68 g/mol
LogP2.23
Rot. Bonds1

About trans-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride

trans-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride (PubChem CID 170914369) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is trans-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride
PubChem CID170914369
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Nametrans-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride
SMILESCc1cccc([C@@H]2C[C@H]2N)c1.Cl
InChIInChI=1S/C10H13N.ClH/c1-7-3-2-4-8(5-7)9-6-10(9)11;/h2-5,9-10H,6,11H2,1H3;1H/t9-,10+;/m0./s1
InChIKeyIGYVKJKCNPFDNY-BAUSSPIASA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine
CID 28912202
3-(3-methylphenyl)oxan-4-amine
CID 84772069
cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride
CID 76967138
1-methyl-3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzene
CID 102579240
N-methyl-2-(3-methylphenyl)cyclopropan-1-amine
CID 83694830
(1R)-2-(3-phenylphenyl)cyclopropan-1-amine
CID 20666508
2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 71758190
trans-(1S,2S)-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 28912189
[4-(3-methylphenyl)thiolan-3-yl]methanamine
CID 84779915
5-(2-aminocyclopropyl)-N-(3-methylphenyl)pyridin-2-amine;hydrochloride
CID 66980467
trans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine
CID 93299529
6-(3-methylphenyl)-3-azabicyclo[3.2.0]heptane
CID 19963580

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of trans-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride (CID 170914369) is trans-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for trans-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride is Cc1cccc([C@@H]2C[C@H]2N)c1.Cl.
What is the InChIKey of trans-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is IGYVKJKCNPFDNY-BAUSSPIASA-N. The full InChI is InChI=1S/C10H13N.ClH/c1-7-3-2-4-8(5-7)9-6-10(9)11;/h2-5,9-10H,6,11H2,1H3;1H/t9-,10+;/m0./s1.
What are the key properties of trans-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride?
trans-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 183.68 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 170914369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).