1-[3-(3-chlorophenyl)phenyl]cyclopropan-1-amine;hydrochloride

C15H15Cl2N — CID 167713457

IUPAC1-[3-(3-chlorophenyl)phenyl]cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2cccc(-c3cccc(Cl)c3)c2)CC1
InChIInChI=1S/C15H14ClN.ClH/c16-14-6-2-4-12(10-14)11-3-1-5-13(9-11)15(17)7-8-15;/h1-6,9-10H,7-8,17H2;1H
InChIKeyDLJGRDLRHMYJIT-UHFFFAOYSA-N
MW280.20 g/mol
LogP4.38
Rot. Bonds2

About 1-[3-(3-chlorophenyl)phenyl]cyclopropan-1-amine;hydrochloride

1-[3-(3-chlorophenyl)phenyl]cyclopropan-1-amine;hydrochloride (PubChem CID 167713457) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)phenyl]cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)phenyl]cyclopropan-1-amine;hydrochloride
PubChem CID167713457
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Name1-[3-(3-chlorophenyl)phenyl]cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2cccc(-c3cccc(Cl)c3)c2)CC1
InChIInChI=1S/C15H14ClN.ClH/c16-14-6-2-4-12(10-14)11-3-1-5-13(9-11)15(17)7-8-15;/h1-6,9-10H,7-8,17H2;1H
InChIKeyDLJGRDLRHMYJIT-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenyl)phenyl]cyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-[3-(3-chlorophenyl)phenyl]cyclopropan-1-amine;hydrochloride (CID 167713457) is 1-[3-(3-chlorophenyl)phenyl]cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-[3-(3-chlorophenyl)phenyl]cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-[3-(3-chlorophenyl)phenyl]cyclopropan-1-amine;hydrochloride is Cl.NC1(c2cccc(-c3cccc(Cl)c3)c2)CC1.
What is the InChIKey of 1-[3-(3-chlorophenyl)phenyl]cyclopropan-1-amine;hydrochloride?
The InChIKey is DLJGRDLRHMYJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN.ClH/c16-14-6-2-4-12(10-14)11-3-1-5-13(9-11)15(17)7-8-15;/h1-6,9-10H,7-8,17H2;1H.
What are the key properties of 1-[3-(3-chlorophenyl)phenyl]cyclopropan-1-amine;hydrochloride?
1-[3-(3-chlorophenyl)phenyl]cyclopropan-1-amine;hydrochloride has a molecular weight of 280.20 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)phenyl]cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 167713457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).