[1-[2-(4-fluoro-3-methylphenyl)ethyl]cyclobutyl]methanamine

C14H20FN — CID 90212397

IUPAC[1-[2-(4-fluoro-3-methylphenyl)ethyl]cyclobutyl]methanamine
SMILESCc1cc(CCC2(CN)CCC2)ccc1F
InChIInChI=1S/C14H20FN/c1-11-9-12(3-4-13(11)15)5-8-14(10-16)6-2-7-14/h3-4,9H,2,5-8,10,16H2,1H3
InChIKeyXIWSTMYWYDLXRF-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.20
Rot. Bonds4

About [1-[2-(4-fluoro-3-methylphenyl)ethyl]cyclobutyl]methanamine

[1-[2-(4-fluoro-3-methylphenyl)ethyl]cyclobutyl]methanamine (PubChem CID 90212397) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is [1-[2-(4-fluoro-3-methylphenyl)ethyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-fluoro-3-methylphenyl)ethyl]cyclobutyl]methanamine
PubChem CID90212397
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name[1-[2-(4-fluoro-3-methylphenyl)ethyl]cyclobutyl]methanamine
SMILESCc1cc(CCC2(CN)CCC2)ccc1F
InChIInChI=1S/C14H20FN/c1-11-9-12(3-4-13(11)15)5-8-14(10-16)6-2-7-14/h3-4,9H,2,5-8,10,16H2,1H3
InChIKeyXIWSTMYWYDLXRF-UHFFFAOYSA-N
XLogP3.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(4-fluoro-3-methylphenyl)methyl]cyclopropyl]methanamine
CID 82401788
2-[1-[2-(4-fluoro-3,5-dimethylphenyl)ethyl]cyclohexyl]ethanamine
CID 65305933
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3,4-dimethylphenyl)ethanamine
CID 115245892
N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine
CID 115226004
1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclopropan-1-amine
CID 115256614
1-(aminomethyl)-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115182798
2-[1-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentyl]ethanamine
CID 65305595
1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114623
N'-[2-(4-fluoro-3-methylphenyl)ethyl]butane-1,4-diamine
CID 115201373
2-[1-[2-(3,4-dimethylphenyl)ethyl]cyclopentyl]-N-ethylethanamine
CID 65303868
(2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine
CID 90212776
[1-(4-fluoro-3-methylphenyl)sulfanylcyclobutyl]methanamine
CID 117034948

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-fluoro-3-methylphenyl)ethyl]cyclobutyl]methanamine?
The IUPAC name of [1-[2-(4-fluoro-3-methylphenyl)ethyl]cyclobutyl]methanamine (CID 90212397) is [1-[2-(4-fluoro-3-methylphenyl)ethyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[2-(4-fluoro-3-methylphenyl)ethyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[2-(4-fluoro-3-methylphenyl)ethyl]cyclobutyl]methanamine is Cc1cc(CCC2(CN)CCC2)ccc1F.
What is the InChIKey of [1-[2-(4-fluoro-3-methylphenyl)ethyl]cyclobutyl]methanamine?
The InChIKey is XIWSTMYWYDLXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-11-9-12(3-4-13(11)15)5-8-14(10-16)6-2-7-14/h3-4,9H,2,5-8,10,16H2,1H3.
What are the key properties of [1-[2-(4-fluoro-3-methylphenyl)ethyl]cyclobutyl]methanamine?
[1-[2-(4-fluoro-3-methylphenyl)ethyl]cyclobutyl]methanamine has a molecular weight of 221.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-fluoro-3-methylphenyl)ethyl]cyclobutyl]methanamine is sourced from PubChem (CID 90212397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).