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

C16H17N — CID 44572695

IUPACtrans-(1S,2R)-N-benzyl-2-phenylcyclopropan-1-amine
SMILESc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C16H17N/c1-3-7-13(8-4-1)12-17-16-11-15(16)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15-,16+/m1/s1
InChIKeyMCBSQMCGSGMJHA-CVEARBPZSA-N
MW223.32 g/mol
LogP3.33
Rot. Bonds4

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

trans-(1S,2R)-N-benzyl-2-phenylcyclopropan-1-amine (PubChem CID 44572695) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is trans-(1S,2R)-N-benzyl-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-N-benzyl-2-phenylcyclopropan-1-amine
PubChem CID44572695
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Nametrans-(1S,2R)-N-benzyl-2-phenylcyclopropan-1-amine
SMILESc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C16H17N/c1-3-7-13(8-4-1)12-17-16-11-15(16)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15-,16+/m1/s1
InChIKeyMCBSQMCGSGMJHA-CVEARBPZSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-N-benzyl-2-phenylcyclopropan-1-amine?
The IUPAC name of trans-(1S,2R)-N-benzyl-2-phenylcyclopropan-1-amine (CID 44572695) is trans-(1S,2R)-N-benzyl-2-phenylcyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2R)-N-benzyl-2-phenylcyclopropan-1-amine?
The canonical SMILES for trans-(1S,2R)-N-benzyl-2-phenylcyclopropan-1-amine is c1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1.
What is the InChIKey of trans-(1S,2R)-N-benzyl-2-phenylcyclopropan-1-amine?
The InChIKey is MCBSQMCGSGMJHA-CVEARBPZSA-N. The full InChI is InChI=1S/C16H17N/c1-3-7-13(8-4-1)12-17-16-11-15(16)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15-,16+/m1/s1.
What are the key properties of trans-(1S,2R)-N-benzyl-2-phenylcyclopropan-1-amine?
trans-(1S,2R)-N-benzyl-2-phenylcyclopropan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-N-benzyl-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 44572695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).