(1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine

C13H18ClN — CID 81352222

IUPAC(1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
SMILESC[C@H](NCC1CCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN/c1-10(15-9-11-3-2-4-11)12-5-7-13(14)8-6-12/h5-8,10-11,15H,2-4,9H2,1H3/t10-/m0/s1
InChIKeySDMMWXIUUKSQFR-JTQLQIEISA-N
MW223.75 g/mol
LogP3.79
Rot. Bonds4

About (1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine

(1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine (PubChem CID 81352222) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is (1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
PubChem CID81352222
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name(1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
SMILESC[C@H](NCC1CCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN/c1-10(15-9-11-3-2-4-11)12-5-7-13(14)8-6-12/h5-8,10-11,15H,2-4,9H2,1H3/t10-/m0/s1
InChIKeySDMMWXIUUKSQFR-JTQLQIEISA-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-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43298332
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43215868
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
1-(4-chlorophenyl)-N-(cyclohexylmethyl)-2-methylpropan-1-amine
CID 43234095
1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43202343
(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81355288
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
CID 104866399
N-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine
CID 43775619
N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine
CID 43216007
(1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81366631
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
(1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81377860

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine?
The IUPAC name of (1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine (CID 81352222) is (1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine is C[C@H](NCC1CCC1)c1ccc(Cl)cc1.
What is the InChIKey of (1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine?
The InChIKey is SDMMWXIUUKSQFR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18ClN/c1-10(15-9-11-3-2-4-11)12-5-7-13(14)8-6-12/h5-8,10-11,15H,2-4,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine?
(1S)-1-(4-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 (1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine is sourced from PubChem (CID 81352222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).