2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine

C13H18FN — CID 65459488

IUPAC2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)CC2CCC2)cc1F
InChIInChI=1S/C13H18FN/c1-9-5-6-11(8-12(9)14)13(15)7-10-3-2-4-10/h5-6,8,10,13H,2-4,7,15H2,1H3
InChIKeyPOVUZQUKZLKILL-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.32
Rot. Bonds3

About 2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine

2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine (PubChem CID 65459488) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine
PubChem CID65459488
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)CC2CCC2)cc1F
InChIInChI=1S/C13H18FN/c1-9-5-6-11(8-12(9)14)13(15)7-10-3-2-4-10/h5-6,8,10,13H,2-4,7,15H2,1H3
InChIKeyPOVUZQUKZLKILL-UHFFFAOYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine
CID 62601835
2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 65299332
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 79557851
1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine
CID 103693328
(1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine
CID 130618346
1-[4-(aminomethyl)-3-fluorophenyl]-2-cyclopropylethanamine
CID 150062889
5-[(1S)-1-amino-2-cyclopropylethyl]-2-methylphenol
CID 55295732
(1S)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 94248825
1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine
CID 114457720
2-cyclobutyl-1-(3,5-difluorophenyl)ethanamine
CID 65458373
2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
CID 115847288
1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine
CID 116936470

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine?
The IUPAC name of 2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine (CID 65459488) is 2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine?
The canonical SMILES for 2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine is Cc1ccc(C(N)CC2CCC2)cc1F.
What is the InChIKey of 2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine?
The InChIKey is POVUZQUKZLKILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9-5-6-11(8-12(9)14)13(15)7-10-3-2-4-10/h5-6,8,10,13H,2-4,7,15H2,1H3.
What are the key properties of 2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine?
2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine has a molecular weight of 207.29 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 65459488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).