[1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine

C12H16ClNO — CID 131255085

IUPAC[1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine
SMILESCOc1c(Cl)cccc1C1(CN)CCC1
InChIInChI=1S/C12H16ClNO/c1-15-11-9(4-2-5-10(11)13)12(8-14)6-3-7-12/h2,4-5H,3,6-8,14H2,1H3
InChIKeyFRSVDNPLLINVTP-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.73
Rot. Bonds3

About [1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine

[1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine (PubChem CID 131255085) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is [1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine
PubChem CID131255085
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name[1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine
SMILESCOc1c(Cl)cccc1C1(CN)CCC1
InChIInChI=1S/C12H16ClNO/c1-15-11-9(4-2-5-10(11)13)12(8-14)6-3-7-12/h2,4-5H,3,6-8,14H2,1H3
InChIKeyFRSVDNPLLINVTP-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117387762
[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456510
[1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine
CID 117347808
[1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117427815
[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
CID 117392400
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
[1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117397976
[1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride
CID 86201221
2-[1-(3-chloro-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800640
[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015
[1-(2-methoxy-3-methylsulfonylphenyl)cyclohexyl]methanamine
CID 117479118
3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol
CID 117327619

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine (CID 131255085) is [1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine is COc1c(Cl)cccc1C1(CN)CCC1.
What is the InChIKey of [1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine?
The InChIKey is FRSVDNPLLINVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-15-11-9(4-2-5-10(11)13)12(8-14)6-3-7-12/h2,4-5H,3,6-8,14H2,1H3.
What are the key properties of [1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine?
[1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine has a molecular weight of 225.72 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 131255085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).