trans-(1S,2R)-2-(4-chlorophenyl)-1-phenylcyclopropan-1-amine;hydrochloride

C15H15Cl2N — CID 118732674

IUPACtrans-(1S,2R)-2-(4-chlorophenyl)-1-phenylcyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@]1(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN.ClH/c16-13-8-6-11(7-9-13)14-10-15(14,17)12-4-2-1-3-5-12;/h1-9,14H,10,17H2;1H/t14-,15-;/m1./s1
InChIKeyFGVIHYDSGDOMCC-CTHHTMFSSA-N
MW280.20 g/mol
LogP4.10
Rot. Bonds2

About trans-(1S,2R)-2-(4-chlorophenyl)-1-phenylcyclopropan-1-amine;hydrochloride

trans-(1S,2R)-2-(4-chlorophenyl)-1-phenylcyclopropan-1-amine;hydrochloride (PubChem CID 118732674) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is trans-(1S,2R)-2-(4-chlorophenyl)-1-phenylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(4-chlorophenyl)-1-phenylcyclopropan-1-amine;hydrochloride
PubChem CID118732674
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Nametrans-(1S,2R)-2-(4-chlorophenyl)-1-phenylcyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@]1(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN.ClH/c16-13-8-6-11(7-9-13)14-10-15(14,17)12-4-2-1-3-5-12;/h1-9,14H,10,17H2;1H/t14-,15-;/m1./s1
InChIKeyFGVIHYDSGDOMCC-CTHHTMFSSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(4-chlorophenyl)-1-phenylcyclopropan-1-amine;hydrochloride?
The IUPAC name of trans-(1S,2R)-2-(4-chlorophenyl)-1-phenylcyclopropan-1-amine;hydrochloride (CID 118732674) is trans-(1S,2R)-2-(4-chlorophenyl)-1-phenylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1S,2R)-2-(4-chlorophenyl)-1-phenylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for trans-(1S,2R)-2-(4-chlorophenyl)-1-phenylcyclopropan-1-amine;hydrochloride is Cl.N[C@@]1(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of trans-(1S,2R)-2-(4-chlorophenyl)-1-phenylcyclopropan-1-amine;hydrochloride?
The InChIKey is FGVIHYDSGDOMCC-CTHHTMFSSA-N. The full InChI is InChI=1S/C15H14ClN.ClH/c16-13-8-6-11(7-9-13)14-10-15(14,17)12-4-2-1-3-5-12;/h1-9,14H,10,17H2;1H/t14-,15-;/m1./s1.
What are the key properties of trans-(1S,2R)-2-(4-chlorophenyl)-1-phenylcyclopropan-1-amine;hydrochloride?
trans-(1S,2R)-2-(4-chlorophenyl)-1-phenylcyclopropan-1-amine;hydrochloride has a molecular weight of 280.20 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(4-chlorophenyl)-1-phenylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 118732674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).