cis-(1R,2S)-2-(2-chlorophenyl)-1-ethylcyclopropan-1-amine

C11H14ClN — CID 90212874

IUPACcis-(1R,2S)-2-(2-chlorophenyl)-1-ethylcyclopropan-1-amine
SMILESCC[C@@]1(N)C[C@H]1c1ccccc1Cl
InChIInChI=1S/C11H14ClN/c1-2-11(13)7-9(11)8-5-3-4-6-10(8)12/h3-6,9H,2,7,13H2,1H3/t9-,11+/m0/s1
InChIKeyWEIBITIUXRSXKV-GXSJLCMTSA-N
MW195.69 g/mol
LogP2.93
Rot. Bonds2

About cis-(1R,2S)-2-(2-chlorophenyl)-1-ethylcyclopropan-1-amine

cis-(1R,2S)-2-(2-chlorophenyl)-1-ethylcyclopropan-1-amine (PubChem CID 90212874) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is cis-(1R,2S)-2-(2-chlorophenyl)-1-ethylcyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-(2-chlorophenyl)-1-ethylcyclopropan-1-amine
PubChem CID90212874
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Namecis-(1R,2S)-2-(2-chlorophenyl)-1-ethylcyclopropan-1-amine
SMILESCC[C@@]1(N)C[C@H]1c1ccccc1Cl
InChIInChI=1S/C11H14ClN/c1-2-11(13)7-9(11)8-5-3-4-6-10(8)12/h3-6,9H,2,7,13H2,1H3/t9-,11+/m0/s1
InChIKeyWEIBITIUXRSXKV-GXSJLCMTSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(2-chlorophenyl)-1-ethylcyclopropan-1-amine?
The IUPAC name of cis-(1R,2S)-2-(2-chlorophenyl)-1-ethylcyclopropan-1-amine (CID 90212874) is cis-(1R,2S)-2-(2-chlorophenyl)-1-ethylcyclopropan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-(2-chlorophenyl)-1-ethylcyclopropan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-(2-chlorophenyl)-1-ethylcyclopropan-1-amine is CC[C@@]1(N)C[C@H]1c1ccccc1Cl.
What is the InChIKey of cis-(1R,2S)-2-(2-chlorophenyl)-1-ethylcyclopropan-1-amine?
The InChIKey is WEIBITIUXRSXKV-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H14ClN/c1-2-11(13)7-9(11)8-5-3-4-6-10(8)12/h3-6,9H,2,7,13H2,1H3/t9-,11+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(2-chlorophenyl)-1-ethylcyclopropan-1-amine?
cis-(1R,2S)-2-(2-chlorophenyl)-1-ethylcyclopropan-1-amine has a molecular weight of 195.69 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(2-chlorophenyl)-1-ethylcyclopropan-1-amine is sourced from PubChem (CID 90212874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).