N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine

C13H18ClN — CID 81352705

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine
SMILESCC(N[C@@H](C)c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C13H18ClN/c1-9(11-3-4-11)15-10(2)12-5-7-13(14)8-6-12/h5-11,15H,3-4H2,1-2H3/t9?,10-/m0/s1
InChIKeyIDLLJDYBPKEPRP-AXDSSHIGSA-N
MW223.75 g/mol
LogP3.79
Rot. Bonds4

About N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine

N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine (PubChem CID 81352705) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine
PubChem CID81352705
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine
SMILESCC(N[C@@H](C)c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C13H18ClN/c1-9(11-3-4-11)15-10(2)12-5-7-13(14)8-6-12/h5-11,15H,3-4H2,1-2H3/t9?,10-/m0/s1
InChIKeyIDLLJDYBPKEPRP-AXDSSHIGSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 81349354
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine
CID 63477306
(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
CID 81351699
(1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81357139
1-cyclopropyl-N-[1-(4-fluoro-3-methylphenyl)ethyl]ethanamine;hydrochloride
CID 115683937
1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 55097109
(1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 81389876
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
CID 104866399
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-cyclopropylethanamine
CID 102976313
1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine
CID 81348448
(1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine
CID 81386295

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine (CID 81352705) is N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine is CC(N[C@@H](C)c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine?
The InChIKey is IDLLJDYBPKEPRP-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H18ClN/c1-9(11-3-4-11)15-10(2)12-5-7-13(14)8-6-12/h5-11,15H,3-4H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine?
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine has a molecular weight of 223.75 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine is sourced from PubChem (CID 81352705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).