[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine

C12H16FNO — CID 131328420

IUPAC[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
SMILESCOc1ccc(C2(CN)CCC2)cc1F
InChIInChI=1S/C12H16FNO/c1-15-11-4-3-9(7-10(11)13)12(8-14)5-2-6-12/h3-4,7H,2,5-6,8,14H2,1H3
InChIKeyKQUWMNYJFDJALS-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.21
Rot. Bonds3

About [1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine

[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine (PubChem CID 131328420) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is [1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
PubChem CID131328420
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
SMILESCOc1ccc(C2(CN)CCC2)cc1F
InChIInChI=1S/C12H16FNO/c1-15-11-4-3-9(7-10(11)13)12(8-14)5-2-6-12/h3-4,7H,2,5-6,8,14H2,1H3
InChIKeyKQUWMNYJFDJALS-UHFFFAOYSA-N
XLogP2.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117401401
[1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine
CID 82499353
[1-(4-methoxy-3-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117418161
[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine
CID 117347270
1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
CID 162691811
[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
CID 82499570
2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid
CID 82087894
[1-(2,3-difluoro-6-methoxyphenyl)cyclobutyl]methanamine
CID 117326701
[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]methanesulfonyl chloride
CID 98663701
4-[1-(aminomethyl)cyclobutyl]-2-fluoro-N,N-dimethylaniline
CID 117318635
[1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]cyclobutyl]methanamine
CID 117408013
2-fluoro-4-[1-(isocyanatomethyl)cyclopentyl]-1-methoxybenzene
CID 82087098

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine (CID 131328420) is [1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine is COc1ccc(C2(CN)CCC2)cc1F.
What is the InChIKey of [1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine?
The InChIKey is KQUWMNYJFDJALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-15-11-4-3-9(7-10(11)13)12(8-14)5-2-6-12/h3-4,7H,2,5-6,8,14H2,1H3.
What are the key properties of [1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine?
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine has a molecular weight of 209.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 131328420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).