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

C13H18ClNO — CID 103162998

IUPAC1-(2-chloro-4-methoxyphenyl)-2-cyclobutylethanamine
SMILESCOc1ccc(C(N)CC2CCC2)c(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-16-10-5-6-11(12(14)8-10)13(15)7-9-3-2-4-9/h5-6,8-9,13H,2-4,7,15H2,1H3
InChIKeyHFIRTMGWRZRZQC-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.54
Rot. Bonds4

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

1-(2-chloro-4-methoxyphenyl)-2-cyclobutylethanamine (PubChem CID 103162998) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)-2-cyclobutylethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)-2-cyclobutylethanamine
PubChem CID103162998
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-(2-chloro-4-methoxyphenyl)-2-cyclobutylethanamine
SMILESCOc1ccc(C(N)CC2CCC2)c(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-16-10-5-6-11(12(14)8-10)13(15)7-9-3-2-4-9/h5-6,8-9,13H,2-4,7,15H2,1H3
InChIKeyHFIRTMGWRZRZQC-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

1-(2-chloro-4-methoxyphenyl)-2-pyrrolidin-3-ylethanamine
CID 116936145
(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol
CID 66514098
3-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-amine
CID 116937731
1-(2-chloro-4,5-dimethylphenyl)-2-cyclobutylethanamine
CID 103163306
(1S)-2-cyclopropyl-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171227730
3-amino-3-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 82284820
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
(2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65414537
(3R)-3-amino-3-(2-chloro-4-methoxyphenyl)propanenitrile
CID 130644013
[chloro-(2-chloro-4-methoxyphenyl)methyl]cycloheptane
CID 55200253
1-(4-chloro-3-methoxyphenyl)-2-cyclobutylethanamine
CID 103169066
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 63504313

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)-2-cyclobutylethanamine?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)-2-cyclobutylethanamine (CID 103162998) is 1-(2-chloro-4-methoxyphenyl)-2-cyclobutylethanamine.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)-2-cyclobutylethanamine?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)-2-cyclobutylethanamine is COc1ccc(C(N)CC2CCC2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)-2-cyclobutylethanamine?
The InChIKey is HFIRTMGWRZRZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-16-10-5-6-11(12(14)8-10)13(15)7-9-3-2-4-9/h5-6,8-9,13H,2-4,7,15H2,1H3.
What are the key properties of 1-(2-chloro-4-methoxyphenyl)-2-cyclobutylethanamine?
1-(2-chloro-4-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-(2-chloro-4-methoxyphenyl)-2-cyclobutylethanamine is sourced from PubChem (CID 103162998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).