(1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine

C13H18ClN — CID 81377860

IUPAC(1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
SMILESC[C@@H](NCC1CCC1)c1ccccc1Cl
InChIInChI=1S/C13H18ClN/c1-10(15-9-11-5-4-6-11)12-7-2-3-8-13(12)14/h2-3,7-8,10-11,15H,4-6,9H2,1H3/t10-/m1/s1
InChIKeyOIUSHUSVGBQMDM-SNVBAGLBSA-N
MW223.75 g/mol
LogP3.79
Rot. Bonds4

About (1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine

(1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine (PubChem CID 81377860) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is (1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
PubChem CID81377860
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name(1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
SMILESC[C@@H](NCC1CCC1)c1ccccc1Cl
InChIInChI=1S/C13H18ClN/c1-10(15-9-11-5-4-6-11)12-7-2-3-8-13(12)14/h2-3,7-8,10-11,15H,4-6,9H2,1H3/t10-/m1/s1
InChIKeyOIUSHUSVGBQMDM-SNVBAGLBSA-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

(1R)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377732
(1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377152
(1S)-1-(2-chlorophenyl)-N-[[(3R)-oxan-3-yl]methyl]ethanamine
CID 93447506
1-(2-chlorophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 55191954
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
CID 113489915
1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82835073
(1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
CID 81378406
(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81378620
(1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine
CID 81383462
1-(2-chlorophenyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 116521330
1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82773811
N-(cyclobutylmethyl)-1-(2-nitrophenyl)ethanamine
CID 43298232

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine?
The IUPAC name of (1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine (CID 81377860) is (1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine is C[C@@H](NCC1CCC1)c1ccccc1Cl.
What is the InChIKey of (1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine?
The InChIKey is OIUSHUSVGBQMDM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18ClN/c1-10(15-9-11-5-4-6-11)12-7-2-3-8-13(12)14/h2-3,7-8,10-11,15H,4-6,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine?
(1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine 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 (1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine is sourced from PubChem (CID 81377860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).