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

C15H16ClN — CID 118483913

IUPACtrans-(1S,2R)-1,2-diphenylcyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@]1(c2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C15H15N.ClH/c16-15(13-9-5-2-6-10-13)11-14(15)12-7-3-1-4-8-12;/h1-10,14H,11,16H2;1H/t14-,15-;/m1./s1
InChIKeyYZRAPGMDGOUWPD-CTHHTMFSSA-N
MW245.75 g/mol
LogP3.45
Rot. Bonds2

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

trans-(1S,2R)-1,2-diphenylcyclopropan-1-amine;hydrochloride (PubChem CID 118483913) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is trans-(1S,2R)-1,2-diphenylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,2R)-1,2-diphenylcyclopropan-1-amine;hydrochloride
PubChem CID118483913
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Nametrans-(1S,2R)-1,2-diphenylcyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@]1(c2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C15H15N.ClH/c16-15(13-9-5-2-6-10-13)11-14(15)12-7-3-1-4-8-12;/h1-10,14H,11,16H2;1H/t14-,15-;/m1./s1
InChIKeyYZRAPGMDGOUWPD-CTHHTMFSSA-N
XLogP3.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1,2-diphenylcyclopropan-1-amine;hydrochloride?
The IUPAC name of trans-(1S,2R)-1,2-diphenylcyclopropan-1-amine;hydrochloride (CID 118483913) is trans-(1S,2R)-1,2-diphenylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1S,2R)-1,2-diphenylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for trans-(1S,2R)-1,2-diphenylcyclopropan-1-amine;hydrochloride is Cl.N[C@@]1(c2ccccc2)C[C@@H]1c1ccccc1.
What is the InChIKey of trans-(1S,2R)-1,2-diphenylcyclopropan-1-amine;hydrochloride?
The InChIKey is YZRAPGMDGOUWPD-CTHHTMFSSA-N. The full InChI is InChI=1S/C15H15N.ClH/c16-15(13-9-5-2-6-10-13)11-14(15)12-7-3-1-4-8-12;/h1-10,14H,11,16H2;1H/t14-,15-;/m1./s1.
What are the key properties of trans-(1S,2R)-1,2-diphenylcyclopropan-1-amine;hydrochloride?
trans-(1S,2R)-1,2-diphenylcyclopropan-1-amine;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1,2-diphenylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 118483913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).