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

C9H11N — CID 19493

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IUPACtrans-(1R,2S)-2-phenylcyclopropan-1-amine
SMILESN[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
InChIKeyAELCINSCMGFISI-DTWKUNHWSA-N
MW133.19 g/mol
LogP1.50
Rot. Bonds1

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

trans-(1R,2S)-2-phenylcyclopropan-1-amine (PubChem CID 19493) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is trans-(1R,2S)-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-phenylcyclopropan-1-amine
PubChem CID19493
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Nametrans-(1R,2S)-2-phenylcyclopropan-1-amine
SMILESN[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
InChIKeyAELCINSCMGFISI-DTWKUNHWSA-N
XLogP1.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-phenylcyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-phenylcyclopropan-1-amine (CID 19493) is trans-(1R,2S)-2-phenylcyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-phenylcyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-phenylcyclopropan-1-amine is N[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2S)-2-phenylcyclopropan-1-amine?
The InChIKey is AELCINSCMGFISI-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1.
What are the key properties of trans-(1R,2S)-2-phenylcyclopropan-1-amine?
trans-(1R,2S)-2-phenylcyclopropan-1-amine has a molecular weight of 133.19 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 19493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).