[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine

C14H20FNO — CID 117347270

IUPAC[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine
SMILESCCc1c(F)cc(C2(CN)CCC2)cc1OC
InChIInChI=1S/C14H20FNO/c1-3-11-12(15)7-10(8-13(11)17-2)14(9-16)5-4-6-14/h7-8H,3-6,9,16H2,1-2H3
InChIKeyQWWJQTOVBRZTMG-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.78
Rot. Bonds4

About [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine

[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine (PubChem CID 117347270) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine
PubChem CID117347270
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine
SMILESCCc1c(F)cc(C2(CN)CCC2)cc1OC
InChIInChI=1S/C14H20FNO/c1-3-11-12(15)7-10(8-13(11)17-2)14(9-16)5-4-6-14/h7-8H,3-6,9,16H2,1-2H3
InChIKeyQWWJQTOVBRZTMG-UHFFFAOYSA-N
XLogP2.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine
CID 117418082
[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclopropyl]methanamine
CID 117320148
1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutan-1-amine
CID 117320267
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
[1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298894
[1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117391287
[1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine
CID 117312997
[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117347260
[1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117467251
[1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]cyclopentyl]methanamine
CID 117351226
5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxybenzoic acid
CID 117385602
[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351218

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine (CID 117347270) is [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine is CCc1c(F)cc(C2(CN)CCC2)cc1OC.
What is the InChIKey of [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine?
The InChIKey is QWWJQTOVBRZTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-11-12(15)7-10(8-13(11)17-2)14(9-16)5-4-6-14/h7-8H,3-6,9,16H2,1-2H3.
What are the key properties of [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine?
[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine has a molecular weight of 237.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117347270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).