1-(3-fluoro-4-methoxyphenyl)-N-methylcyclobutan-1-amine

C12H16FNO — CID 83688403

IUPAC1-(3-fluoro-4-methoxyphenyl)-N-methylcyclobutan-1-amine
SMILESCNC1(c2ccc(OC)c(F)c2)CCC1
InChIInChI=1S/C12H16FNO/c1-14-12(6-3-7-12)9-4-5-11(15-2)10(13)8-9/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyPCFRMPWMFPGCTB-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.43
Rot. Bonds3

About 1-(3-fluoro-4-methoxyphenyl)-N-methylcyclobutan-1-amine

1-(3-fluoro-4-methoxyphenyl)-N-methylcyclobutan-1-amine (PubChem CID 83688403) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N-methylcyclobutan-1-amine
PubChem CID83688403
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N-methylcyclobutan-1-amine
SMILESCNC1(c2ccc(OC)c(F)c2)CCC1
InChIInChI=1S/C12H16FNO/c1-14-12(6-3-7-12)9-4-5-11(15-2)10(13)8-9/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyPCFRMPWMFPGCTB-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-N-methylcyclohexan-1-amine
CID 82298649
1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
CID 162691811
1-(4-methoxy-3-propan-2-ylphenyl)-N-methylcyclopentan-1-amine
CID 82295969
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone
CID 82283649
1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone
CID 82297467
1-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carbonitrile
CID 142504266
[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]methanesulfonyl chloride
CID 98663701
2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid
CID 82087894
3-fluoro-3-(3-fluoro-4-methoxyphenyl)pyrrolidine
CID 112564332
2-(3-fluoro-4-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389721
1-(3-fluoro-4-methoxyphenyl)-3-methoxycyclohexan-1-ol
CID 106874129

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methylcyclobutan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methylcyclobutan-1-amine (CID 83688403) is 1-(3-fluoro-4-methoxyphenyl)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N-methylcyclobutan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N-methylcyclobutan-1-amine is CNC1(c2ccc(OC)c(F)c2)CCC1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N-methylcyclobutan-1-amine?
The InChIKey is PCFRMPWMFPGCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-14-12(6-3-7-12)9-4-5-11(15-2)10(13)8-9/h4-5,8,14H,3,6-7H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N-methylcyclobutan-1-amine?
1-(3-fluoro-4-methoxyphenyl)-N-methylcyclobutan-1-amine has a molecular weight of 209.26 g/mol, XLogP of 2.43, 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)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 83688403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).