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

C9H10ClN — CID 11084270

IUPAC1-(3-chlorophenyl)cyclopropan-1-amine
SMILESNC1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C9H10ClN/c10-8-3-1-2-7(6-8)9(11)4-5-9/h1-3,6H,4-5,11H2
InChIKeyHPZLWZKZPAZLIO-UHFFFAOYSA-N
MW167.64 g/mol
LogP2.29
Rot. Bonds1

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

1-(3-chlorophenyl)cyclopropan-1-amine (PubChem CID 11084270) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 1-(3-chlorophenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)cyclopropan-1-amine
PubChem CID11084270
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name1-(3-chlorophenyl)cyclopropan-1-amine
SMILESNC1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C9H10ClN/c10-8-3-1-2-7(6-8)9(11)4-5-9/h1-3,6H,4-5,11H2
InChIKeyHPZLWZKZPAZLIO-UHFFFAOYSA-N
XLogP2.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 52.29
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?
The IUPAC name of 1-(3-chlorophenyl)cyclopropan-1-amine (CID 11084270) is 1-(3-chlorophenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)cyclopropan-1-amine is NC1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)cyclopropan-1-amine?
The InChIKey is HPZLWZKZPAZLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c10-8-3-1-2-7(6-8)9(11)4-5-9/h1-3,6H,4-5,11H2.
What are the key properties of 1-(3-chlorophenyl)cyclopropan-1-amine?
1-(3-chlorophenyl)cyclopropan-1-amine has a molecular weight of 167.64 g/mol, XLogP of 2.29, 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 is sourced from PubChem (CID 11084270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).