(1R)-1-(3-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine

C13H18ClN — CID 81371851

IUPAC(1R)-1-(3-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
SMILESC[C@@H](NCCC1CC1)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClN/c1-10(15-8-7-11-5-6-11)12-3-2-4-13(14)9-12/h2-4,9-11,15H,5-8H2,1H3/t10-/m1/s1
InChIKeyOHQUMURIKXLWOC-SNVBAGLBSA-N
MW223.75 g/mol
LogP3.79
Rot. Bonds5

About (1R)-1-(3-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine

(1R)-1-(3-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine (PubChem CID 81371851) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
PubChem CID81371851
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name(1R)-1-(3-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
SMILESC[C@@H](NCCC1CC1)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClN/c1-10(15-8-7-11-5-6-11)12-3-2-4-13(14)9-12/h2-4,9-11,15H,5-8H2,1H3/t10-/m1/s1
InChIKeyOHQUMURIKXLWOC-SNVBAGLBSA-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

(1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81366631
N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 81366429
1-(3-chlorophenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115625455
(1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 98487940
3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 28715339
N-[(1R)-1-(3-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 30071409
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155903
N-(2-cyclobutylethyl)-1-phenylethanamine
CID 115688569
N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63450355
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-propylcycloheptan-1-amine
CID 81365897
N-[1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine
CID 63420298
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-phenylbutan-1-amine
CID 81366439

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine?
The IUPAC name of (1R)-1-(3-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine (CID 81371851) is (1R)-1-(3-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine is C[C@@H](NCCC1CC1)c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine?
The InChIKey is OHQUMURIKXLWOC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18ClN/c1-10(15-8-7-11-5-6-11)12-3-2-4-13(14)9-12/h2-4,9-11,15H,5-8H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine?
(1R)-1-(3-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 (1R)-1-(3-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine is sourced from PubChem (CID 81371851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).