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

C11H14ClN — CID 67064917

IUPACtrans-(1R,2S)-N-(2-chloroethyl)-2-phenylcyclopropan-1-amine
SMILESClCCN[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C11H14ClN/c12-6-7-13-11-8-10(11)9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2/t10-,11+/m0/s1
InChIKeyUXILYVCUBVSGOI-WDEREUQCSA-N
MW195.69 g/mol
LogP2.37
Rot. Bonds4

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

trans-(1R,2S)-N-(2-chloroethyl)-2-phenylcyclopropan-1-amine (PubChem CID 67064917) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is trans-(1R,2S)-N-(2-chloroethyl)-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-N-(2-chloroethyl)-2-phenylcyclopropan-1-amine
PubChem CID67064917
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Nametrans-(1R,2S)-N-(2-chloroethyl)-2-phenylcyclopropan-1-amine
SMILESClCCN[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C11H14ClN/c12-6-7-13-11-8-10(11)9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2/t10-,11+/m0/s1
InChIKeyUXILYVCUBVSGOI-WDEREUQCSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-N-(2-chloroethyl)-2-phenylcyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-N-(2-chloroethyl)-2-phenylcyclopropan-1-amine (CID 67064917) is trans-(1R,2S)-N-(2-chloroethyl)-2-phenylcyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-N-(2-chloroethyl)-2-phenylcyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-N-(2-chloroethyl)-2-phenylcyclopropan-1-amine is ClCCN[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2S)-N-(2-chloroethyl)-2-phenylcyclopropan-1-amine?
The InChIKey is UXILYVCUBVSGOI-WDEREUQCSA-N. The full InChI is InChI=1S/C11H14ClN/c12-6-7-13-11-8-10(11)9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2/t10-,11+/m0/s1.
What are the key properties of trans-(1R,2S)-N-(2-chloroethyl)-2-phenylcyclopropan-1-amine?
trans-(1R,2S)-N-(2-chloroethyl)-2-phenylcyclopropan-1-amine has a molecular weight of 195.69 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-N-(2-chloroethyl)-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 67064917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).