1-[2-(5-chloro-2-methoxyphenyl)cyclobutyl]-N-methylmethanamine

C13H18ClNO — CID 81016874

IUPAC1-[2-(5-chloro-2-methoxyphenyl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1c1cc(Cl)ccc1OC
InChIInChI=1S/C13H18ClNO/c1-15-8-9-3-5-11(9)12-7-10(14)4-6-13(12)16-2/h4,6-7,9,11,15H,3,5,8H2,1-2H3
InChIKeyPJAFGYBISMAQBJ-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.06
Rot. Bonds4

About 1-[2-(5-chloro-2-methoxyphenyl)cyclobutyl]-N-methylmethanamine

1-[2-(5-chloro-2-methoxyphenyl)cyclobutyl]-N-methylmethanamine (PubChem CID 81016874) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-methoxyphenyl)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5-chloro-2-methoxyphenyl)cyclobutyl]-N-methylmethanamine
PubChem CID81016874
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-[2-(5-chloro-2-methoxyphenyl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1c1cc(Cl)ccc1OC
InChIInChI=1S/C13H18ClNO/c1-15-8-9-3-5-11(9)12-7-10(14)4-6-13(12)16-2/h4,6-7,9,11,15H,3,5,8H2,1-2H3
InChIKeyPJAFGYBISMAQBJ-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 81032180
N-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 81034269
1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 81018324
1-[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]-N-methylmethanamine
CID 82782631
1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 116811386
1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558417
4-chloro-2-cyclohexyl-1-methoxybenzene
CID 71228183
N-[[2-(2,5-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81023713
(2R)-2-(5-chloro-2-methoxyphenyl)azetidine
CID 130700995
1-[2-(5-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine
CID 114860003
N-[[2-(5-fluoro-2-methoxyphenyl)cyclobutyl]methyl]propan-1-amine
CID 82782284
3-(5-chloro-2-methoxyphenyl)-N-ethylcyclopentan-1-amine
CID 64506168

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-methoxyphenyl)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5-chloro-2-methoxyphenyl)cyclobutyl]-N-methylmethanamine (CID 81016874) is 1-[2-(5-chloro-2-methoxyphenyl)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5-chloro-2-methoxyphenyl)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5-chloro-2-methoxyphenyl)cyclobutyl]-N-methylmethanamine is CNCC1CCC1c1cc(Cl)ccc1OC.
What is the InChIKey of 1-[2-(5-chloro-2-methoxyphenyl)cyclobutyl]-N-methylmethanamine?
The InChIKey is PJAFGYBISMAQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-15-8-9-3-5-11(9)12-7-10(14)4-6-13(12)16-2/h4,6-7,9,11,15H,3,5,8H2,1-2H3.
What are the key properties of 1-[2-(5-chloro-2-methoxyphenyl)cyclobutyl]-N-methylmethanamine?
1-[2-(5-chloro-2-methoxyphenyl)cyclobutyl]-N-methylmethanamine has a molecular weight of 239.75 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-methoxyphenyl)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 81016874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).