cis-(1R,2R)-1-benzyl-2-(4-chlorophenyl)cyclopropan-1-amine;hydrochloride

C16H17Cl2N — CID 118730242

IUPACcis-(1R,2R)-1-benzyl-2-(4-chlorophenyl)cyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@]1(Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN.ClH/c17-14-8-6-13(7-9-14)15-11-16(15,18)10-12-4-2-1-3-5-12;/h1-9,15H,10-11,18H2;1H/t15-,16+;/m1./s1
InChIKeyQJFSESZPFZLTCH-RCPFAERMSA-N
MW294.23 g/mol
LogP4.19
Rot. Bonds3

About cis-(1R,2R)-1-benzyl-2-(4-chlorophenyl)cyclopropan-1-amine;hydrochloride

cis-(1R,2R)-1-benzyl-2-(4-chlorophenyl)cyclopropan-1-amine;hydrochloride (PubChem CID 118730242) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is cis-(1R,2R)-1-benzyl-2-(4-chlorophenyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2R)-1-benzyl-2-(4-chlorophenyl)cyclopropan-1-amine;hydrochloride
PubChem CID118730242
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Namecis-(1R,2R)-1-benzyl-2-(4-chlorophenyl)cyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@]1(Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN.ClH/c17-14-8-6-13(7-9-14)15-11-16(15,18)10-12-4-2-1-3-5-12;/h1-9,15H,10-11,18H2;1H/t15-,16+;/m1./s1
InChIKeyQJFSESZPFZLTCH-RCPFAERMSA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-1-benzyl-2-(4-chlorophenyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of cis-(1R,2R)-1-benzyl-2-(4-chlorophenyl)cyclopropan-1-amine;hydrochloride (CID 118730242) is cis-(1R,2R)-1-benzyl-2-(4-chlorophenyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1R,2R)-1-benzyl-2-(4-chlorophenyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for cis-(1R,2R)-1-benzyl-2-(4-chlorophenyl)cyclopropan-1-amine;hydrochloride is Cl.N[C@@]1(Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of cis-(1R,2R)-1-benzyl-2-(4-chlorophenyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is QJFSESZPFZLTCH-RCPFAERMSA-N. The full InChI is InChI=1S/C16H16ClN.ClH/c17-14-8-6-13(7-9-14)15-11-16(15,18)10-12-4-2-1-3-5-12;/h1-9,15H,10-11,18H2;1H/t15-,16+;/m1./s1.
What are the key properties of cis-(1R,2R)-1-benzyl-2-(4-chlorophenyl)cyclopropan-1-amine;hydrochloride?
cis-(1R,2R)-1-benzyl-2-(4-chlorophenyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 294.23 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-benzyl-2-(4-chlorophenyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 118730242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).