(1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine

C13H18ClN — CID 81378406

IUPAC(1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
SMILESC[C@H](NCCC1CC1)c1ccccc1Cl
InChIInChI=1S/C13H18ClN/c1-10(15-9-8-11-6-7-11)12-4-2-3-5-13(12)14/h2-5,10-11,15H,6-9H2,1H3/t10-/m0/s1
InChIKeyGNNDHGLBCADLSN-JTQLQIEISA-N
MW223.75 g/mol
LogP3.79
Rot. Bonds5

About (1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine

(1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine (PubChem CID 81378406) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is (1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
PubChem CID81378406
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name(1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
SMILESC[C@H](NCCC1CC1)c1ccccc1Cl
InChIInChI=1S/C13H18ClN/c1-10(15-9-8-11-6-7-11)12-4-2-3-5-13(12)14/h2-5,10-11,15H,6-9H2,1H3/t10-/m0/s1
InChIKeyGNNDHGLBCADLSN-JTQLQIEISA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 55191954
(1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81377860
(1R)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377732
(1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377152
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine
CID 29040454
N-[1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine
CID 43079434
N-[(1S)-1-(2-chlorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 81379336
2-[1-(2-cyclohexylethylamino)ethyl]phenol
CID 54931684
N-[2-[1-(2-chlorophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113219502
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 104866435
N-[(1S)-1-(2-chlorophenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209435
N-[1-(2-chlorophenyl)ethyl]-2-cyclopropylpropan-1-amine
CID 115623733

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine?
The IUPAC name of (1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine (CID 81378406) is (1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine?
The canonical SMILES for (1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine is C[C@H](NCCC1CC1)c1ccccc1Cl.
What is the InChIKey of (1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine?
The InChIKey is GNNDHGLBCADLSN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18ClN/c1-10(15-9-8-11-6-7-11)12-4-2-3-5-13(12)14/h2-5,10-11,15H,6-9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine?
(1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine has a molecular weight of 223.75 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine is sourced from PubChem (CID 81378406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).