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

C16H18ClN — CID 90197739

IUPACtrans-(1S,2R)-1-benzyl-2-phenylcyclopropan-1-amine;hydrochloride
SMILESCl.N[C@]1(Cc2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C16H17N.ClH/c17-16(11-13-7-3-1-4-8-13)12-15(16)14-9-5-2-6-10-14;/h1-10,15H,11-12,17H2;1H/t15-,16-;/m1./s1
InChIKeyQCKAOUJBZVYJLI-QNBGGDODSA-N
MW259.78 g/mol
LogP3.54
Rot. Bonds3

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

trans-(1S,2R)-1-benzyl-2-phenylcyclopropan-1-amine;hydrochloride (PubChem CID 90197739) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is trans-(1S,2R)-1-benzyl-2-phenylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,2R)-1-benzyl-2-phenylcyclopropan-1-amine;hydrochloride
PubChem CID90197739
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Nametrans-(1S,2R)-1-benzyl-2-phenylcyclopropan-1-amine;hydrochloride
SMILESCl.N[C@]1(Cc2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C16H17N.ClH/c17-16(11-13-7-3-1-4-8-13)12-15(16)14-9-5-2-6-10-14;/h1-10,15H,11-12,17H2;1H/t15-,16-;/m1./s1
InChIKeyQCKAOUJBZVYJLI-QNBGGDODSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-benzyl-2-phenylcyclopropan-1-amine;hydrochloride?
The IUPAC name of trans-(1S,2R)-1-benzyl-2-phenylcyclopropan-1-amine;hydrochloride (CID 90197739) is trans-(1S,2R)-1-benzyl-2-phenylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1S,2R)-1-benzyl-2-phenylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for trans-(1S,2R)-1-benzyl-2-phenylcyclopropan-1-amine;hydrochloride is Cl.N[C@]1(Cc2ccccc2)C[C@@H]1c1ccccc1.
What is the InChIKey of trans-(1S,2R)-1-benzyl-2-phenylcyclopropan-1-amine;hydrochloride?
The InChIKey is QCKAOUJBZVYJLI-QNBGGDODSA-N. The full InChI is InChI=1S/C16H17N.ClH/c17-16(11-13-7-3-1-4-8-13)12-15(16)14-9-5-2-6-10-14;/h1-10,15H,11-12,17H2;1H/t15-,16-;/m1./s1.
What are the key properties of trans-(1S,2R)-1-benzyl-2-phenylcyclopropan-1-amine;hydrochloride?
trans-(1S,2R)-1-benzyl-2-phenylcyclopropan-1-amine;hydrochloride has a molecular weight of 259.78 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-benzyl-2-phenylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 90197739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).