1-(4-chloro-3-methoxyphenyl)-2-cyclobutylethanamine

C13H18ClNO — CID 103169066

IUPAC1-(4-chloro-3-methoxyphenyl)-2-cyclobutylethanamine
SMILESCOc1cc(C(N)CC2CCC2)ccc1Cl
InChIInChI=1S/C13H18ClNO/c1-16-13-8-10(5-6-11(13)14)12(15)7-9-3-2-4-9/h5-6,8-9,12H,2-4,7,15H2,1H3
InChIKeyYPVOWGHKRUIADQ-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.54
Rot. Bonds4

About 1-(4-chloro-3-methoxyphenyl)-2-cyclobutylethanamine

1-(4-chloro-3-methoxyphenyl)-2-cyclobutylethanamine (PubChem CID 103169066) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-2-cyclobutylethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-2-cyclobutylethanamine
PubChem CID103169066
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-(4-chloro-3-methoxyphenyl)-2-cyclobutylethanamine
SMILESCOc1cc(C(N)CC2CCC2)ccc1Cl
InChIInChI=1S/C13H18ClNO/c1-16-13-8-10(5-6-11(13)14)12(15)7-9-3-2-4-9/h5-6,8-9,12H,2-4,7,15H2,1H3
InChIKeyYPVOWGHKRUIADQ-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 171199341
2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 112693539
4-[(1S)-1-amino-2-cyclopropylethyl]-2-chloro-6-methoxyphenol
CID 171234989
(1S)-1-(4-chloro-3-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230706
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 79697209
(1S)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 94248825
1-(3,4-dimethoxyphenyl)-2-piperidin-3-ylethanamine
CID 116936338
4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene
CID 63439505
(1R)-2-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 171199612
[6-bicyclo[3.1.0]hexanyl-(4-chloro-3-methoxyphenyl)methyl]hydrazine
CID 105320826
(1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171211117
(1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171211107

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-cyclobutylethanamine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-cyclobutylethanamine (CID 103169066) is 1-(4-chloro-3-methoxyphenyl)-2-cyclobutylethanamine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-2-cyclobutylethanamine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-2-cyclobutylethanamine is COc1cc(C(N)CC2CCC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-2-cyclobutylethanamine?
The InChIKey is YPVOWGHKRUIADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-16-13-8-10(5-6-11(13)14)12(15)7-9-3-2-4-9/h5-6,8-9,12H,2-4,7,15H2,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-2-cyclobutylethanamine?
1-(4-chloro-3-methoxyphenyl)-2-cyclobutylethanamine has a molecular weight of 239.75 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-2-cyclobutylethanamine is sourced from PubChem (CID 103169066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).