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

C9H11Cl2N — CID 90020196

IUPACtrans-(1R,2S)-2-(2-chlorophenyl)cyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@H]1C[C@H]1c1ccccc1Cl
InChIInChI=1S/C9H10ClN.ClH/c10-8-4-2-1-3-6(8)7-5-9(7)11;/h1-4,7,9H,5,11H2;1H/t7-,9+;/m0./s1
InChIKeyUEADQUZTMDKYMY-DKXTVVGFSA-N
MW204.10 g/mol
LogP2.58
Rot. Bonds1

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

trans-(1R,2S)-2-(2-chlorophenyl)cyclopropan-1-amine;hydrochloride (PubChem CID 90020196) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is trans-(1R,2S)-2-(2-chlorophenyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(2-chlorophenyl)cyclopropan-1-amine;hydrochloride
PubChem CID90020196
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Nametrans-(1R,2S)-2-(2-chlorophenyl)cyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@H]1C[C@H]1c1ccccc1Cl
InChIInChI=1S/C9H10ClN.ClH/c10-8-4-2-1-3-6(8)7-5-9(7)11;/h1-4,7,9H,5,11H2;1H/t7-,9+;/m0./s1
InChIKeyUEADQUZTMDKYMY-DKXTVVGFSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(+)-Tranylcypromine
CID 26070
Tranylcypromine hydrochloride
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p-Chloroamphetamine hydrochloride
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Didesmethylsibutramine hydrochloride
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2-(2-Chlorophenyl)ethylamine
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3-Chlorophenethylamine
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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(2-chlorophenyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of trans-(1R,2S)-2-(2-chlorophenyl)cyclopropan-1-amine;hydrochloride (CID 90020196) is trans-(1R,2S)-2-(2-chlorophenyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1R,2S)-2-(2-chlorophenyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for trans-(1R,2S)-2-(2-chlorophenyl)cyclopropan-1-amine;hydrochloride is Cl.N[C@@H]1C[C@H]1c1ccccc1Cl.
What is the InChIKey of trans-(1R,2S)-2-(2-chlorophenyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is UEADQUZTMDKYMY-DKXTVVGFSA-N. The full InChI is InChI=1S/C9H10ClN.ClH/c10-8-4-2-1-3-6(8)7-5-9(7)11;/h1-4,7,9H,5,11H2;1H/t7-,9+;/m0./s1.
What are the key properties of trans-(1R,2S)-2-(2-chlorophenyl)cyclopropan-1-amine;hydrochloride?
trans-(1R,2S)-2-(2-chlorophenyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 204.10 g/mol, XLogP of 2.58, 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-(2-chlorophenyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 90020196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).