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

C17H20ClN — CID 118712955

IUPACcis-(1R,2S)-2-phenyl-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride
SMILESCl.N[C@]1(CCc2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C17H19N.ClH/c18-17(12-11-14-7-3-1-4-8-14)13-16(17)15-9-5-2-6-10-15;/h1-10,16H,11-13,18H2;1H/t16-,17+;/m0./s1
InChIKeyMHYKMASOPQSMPY-MCJVGQIASA-N
MW273.81 g/mol
LogP3.93
Rot. Bonds4

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

cis-(1R,2S)-2-phenyl-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride (PubChem CID 118712955) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is cis-(1R,2S)-2-phenyl-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2S)-2-phenyl-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride
PubChem CID118712955
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Namecis-(1R,2S)-2-phenyl-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride
SMILESCl.N[C@]1(CCc2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C17H19N.ClH/c18-17(12-11-14-7-3-1-4-8-14)13-16(17)15-9-5-2-6-10-15;/h1-10,16H,11-13,18H2;1H/t16-,17+;/m0./s1
InChIKeyMHYKMASOPQSMPY-MCJVGQIASA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-phenyl-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of cis-(1R,2S)-2-phenyl-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride (CID 118712955) is cis-(1R,2S)-2-phenyl-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1R,2S)-2-phenyl-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for cis-(1R,2S)-2-phenyl-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride is Cl.N[C@]1(CCc2ccccc2)C[C@H]1c1ccccc1.
What is the InChIKey of cis-(1R,2S)-2-phenyl-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is MHYKMASOPQSMPY-MCJVGQIASA-N. The full InChI is InChI=1S/C17H19N.ClH/c18-17(12-11-14-7-3-1-4-8-14)13-16(17)15-9-5-2-6-10-15;/h1-10,16H,11-13,18H2;1H/t16-,17+;/m0./s1.
What are the key properties of cis-(1R,2S)-2-phenyl-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride?
cis-(1R,2S)-2-phenyl-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 273.81 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-phenyl-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 118712955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).