trans-(1R,2S)-2-(2-ethylphenyl)cyclopropan-1-amine

C11H15N — CID 94423440

IUPACtrans-(1R,2S)-2-(2-ethylphenyl)cyclopropan-1-amine
SMILESCCc1ccccc1[C@@H]1C[C@H]1N
InChIInChI=1S/C11H15N/c1-2-8-5-3-4-6-9(8)10-7-11(10)12/h3-6,10-11H,2,7,12H2,1H3/t10-,11+/m0/s1
InChIKeyJKDFNNVANGLDOB-WDEREUQCSA-N
MW161.25 g/mol
LogP2.06
Rot. Bonds2

About trans-(1R,2S)-2-(2-ethylphenyl)cyclopropan-1-amine

trans-(1R,2S)-2-(2-ethylphenyl)cyclopropan-1-amine (PubChem CID 94423440) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is trans-(1R,2S)-2-(2-ethylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(2-ethylphenyl)cyclopropan-1-amine
PubChem CID94423440
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Nametrans-(1R,2S)-2-(2-ethylphenyl)cyclopropan-1-amine
SMILESCCc1ccccc1[C@@H]1C[C@H]1N
InChIInChI=1S/C11H15N/c1-2-8-5-3-4-6-9(8)10-7-11(10)12/h3-6,10-11H,2,7,12H2,1H3/t10-,11+/m0/s1
InChIKeyJKDFNNVANGLDOB-WDEREUQCSA-N
XLogP2.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze trans-(1R,2S)-2-(2-ethylphenyl)cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(2-ethylphenyl)cyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-(2-ethylphenyl)cyclopropan-1-amine (CID 94423440) is trans-(1R,2S)-2-(2-ethylphenyl)cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-(2-ethylphenyl)cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-(2-ethylphenyl)cyclopropan-1-amine is CCc1ccccc1[C@@H]1C[C@H]1N.
What is the InChIKey of trans-(1R,2S)-2-(2-ethylphenyl)cyclopropan-1-amine?
The InChIKey is JKDFNNVANGLDOB-WDEREUQCSA-N. The full InChI is InChI=1S/C11H15N/c1-2-8-5-3-4-6-9(8)10-7-11(10)12/h3-6,10-11H,2,7,12H2,1H3/t10-,11+/m0/s1.
What are the key properties of trans-(1R,2S)-2-(2-ethylphenyl)cyclopropan-1-amine?
trans-(1R,2S)-2-(2-ethylphenyl)cyclopropan-1-amine has a molecular weight of 161.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(2-ethylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 94423440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).