trans-(1R,2S)-2-(4-chlorophenyl)cyclopropan-1-amine

C9H10ClN — CID 39236206

IUPACtrans-(1R,2S)-2-(4-chlorophenyl)cyclopropan-1-amine
SMILESN[C@@H]1C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClN/c10-7-3-1-6(2-4-7)8-5-9(8)11/h1-4,8-9H,5,11H2/t8-,9+/m0/s1
InChIKeyVQLXPSANRSPTEZ-DTWKUNHWSA-N
MW167.64 g/mol
LogP2.15
Rot. Bonds1

About trans-(1R,2S)-2-(4-chlorophenyl)cyclopropan-1-amine

trans-(1R,2S)-2-(4-chlorophenyl)cyclopropan-1-amine (PubChem CID 39236206) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is trans-(1R,2S)-2-(4-chlorophenyl)cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(4-chlorophenyl)cyclopropan-1-amine
PubChem CID39236206
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Nametrans-(1R,2S)-2-(4-chlorophenyl)cyclopropan-1-amine
SMILESN[C@@H]1C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClN/c10-7-3-1-6(2-4-7)8-5-9(8)11/h1-4,8-9H,5,11H2/t8-,9+/m0/s1
InChIKeyVQLXPSANRSPTEZ-DTWKUNHWSA-N
XLogP2.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 52.15
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-(4-chlorophenyl)cyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-(4-chlorophenyl)cyclopropan-1-amine (CID 39236206) is trans-(1R,2S)-2-(4-chlorophenyl)cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-(4-chlorophenyl)cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-(4-chlorophenyl)cyclopropan-1-amine is N[C@@H]1C[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of trans-(1R,2S)-2-(4-chlorophenyl)cyclopropan-1-amine?
The InChIKey is VQLXPSANRSPTEZ-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H10ClN/c10-7-3-1-6(2-4-7)8-5-9(8)11/h1-4,8-9H,5,11H2/t8-,9+/m0/s1.
What are the key properties of trans-(1R,2S)-2-(4-chlorophenyl)cyclopropan-1-amine?
trans-(1R,2S)-2-(4-chlorophenyl)cyclopropan-1-amine has a molecular weight of 167.64 g/mol, XLogP of 2.15, 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-(4-chlorophenyl)cyclopropan-1-amine is sourced from PubChem (CID 39236206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).