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

C17H19Cl2N — CID 118730226

IUPACcis-(1S,2R)-2-(4-chlorophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@]1(CCc2ccccc2)C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN.ClH/c18-15-8-6-14(7-9-15)16-12-17(16,19)11-10-13-4-2-1-3-5-13;/h1-9,16H,10-12,19H2;1H/t16-,17+;/m1./s1
InChIKeySLZDKKMZVAWTCK-PPPUBMIESA-N
MW308.25 g/mol
LogP4.58
Rot. Bonds4

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

cis-(1S,2R)-2-(4-chlorophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride (PubChem CID 118730226) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is cis-(1S,2R)-2-(4-chlorophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1S,2R)-2-(4-chlorophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride
PubChem CID118730226
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Namecis-(1S,2R)-2-(4-chlorophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@]1(CCc2ccccc2)C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN.ClH/c18-15-8-6-14(7-9-15)16-12-17(16,19)11-10-13-4-2-1-3-5-13;/h1-9,16H,10-12,19H2;1H/t16-,17+;/m1./s1
InChIKeySLZDKKMZVAWTCK-PPPUBMIESA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(4-chlorophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of cis-(1S,2R)-2-(4-chlorophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride (CID 118730226) is cis-(1S,2R)-2-(4-chlorophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1S,2R)-2-(4-chlorophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for cis-(1S,2R)-2-(4-chlorophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride is Cl.N[C@@]1(CCc2ccccc2)C[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of cis-(1S,2R)-2-(4-chlorophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is SLZDKKMZVAWTCK-PPPUBMIESA-N. The full InChI is InChI=1S/C17H18ClN.ClH/c18-15-8-6-14(7-9-15)16-12-17(16,19)11-10-13-4-2-1-3-5-13;/h1-9,16H,10-12,19H2;1H/t16-,17+;/m1./s1.
What are the key properties of cis-(1S,2R)-2-(4-chlorophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride?
cis-(1S,2R)-2-(4-chlorophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 308.25 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(4-chlorophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 118730226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).