1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride

C9H11Cl2N — CID 50944239

IUPAC1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C9H10ClN.ClH/c10-8-3-1-2-7(6-8)9(11)4-5-9;/h1-3,6H,4-5,11H2;1H
InChIKeyAWQJBHOHCVILOR-UHFFFAOYSA-N
MW204.10 g/mol
LogP2.71
Rot. Bonds1

About 1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride

1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride (PubChem CID 50944239) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is 1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride
PubChem CID50944239
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Name1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C9H10ClN.ClH/c10-8-3-1-2-7(6-8)9(11)4-5-9;/h1-3,6H,4-5,11H2;1H
InChIKeyAWQJBHOHCVILOR-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride (CID 50944239) is 1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride is Cl.NC1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is AWQJBHOHCVILOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN.ClH/c10-8-3-1-2-7(6-8)9(11)4-5-9;/h1-3,6H,4-5,11H2;1H.
What are the key properties of 1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride?
1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 204.10 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 50944239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).