2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclobutyl)ethanamine

C19H22FN — CID 114347866

IUPAC2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclobutyl)ethanamine
SMILESCc1cc(F)ccc1CC(N)C1(c2ccccc2)CCC1
InChIInChI=1S/C19H22FN/c1-14-12-17(20)9-8-15(14)13-18(21)19(10-5-11-19)16-6-3-2-4-7-16/h2-4,6-9,12,18H,5,10-11,13,21H2,1H3
InChIKeyXBDBFHKNJHPSEO-UHFFFAOYSA-N
MW283.39 g/mol
LogP4.13
Rot. Bonds4

About 2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclobutyl)ethanamine

2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclobutyl)ethanamine (PubChem CID 114347866) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclobutyl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclobutyl)ethanamine
PubChem CID114347866
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC Name2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclobutyl)ethanamine
SMILESCc1cc(F)ccc1CC(N)C1(c2ccccc2)CCC1
InChIInChI=1S/C19H22FN/c1-14-12-17(20)9-8-15(14)13-18(21)19(10-5-11-19)16-6-3-2-4-7-16/h2-4,6-9,12,18H,5,10-11,13,21H2,1H3
InChIKeyXBDBFHKNJHPSEO-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethanamine
CID 114348186
2-(2-chloro-4-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine
CID 63079499
2-(2-chloro-5-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine
CID 102618859
(4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine
CID 63078447
2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclobutyl)ethanamine
CID 115983760
1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine
CID 62720947
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine
CID 114347770
2-(2,5-difluorophenyl)-1-(1-phenylcyclobutyl)ethanol
CID 63080039
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348409
2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclopropyl)ethanone
CID 114347208
2-(2-bromophenyl)-1-(1-phenylcyclopentyl)ethanamine
CID 63417762
1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine
CID 114347745

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclobutyl)ethanamine?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclobutyl)ethanamine (CID 114347866) is 2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclobutyl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclobutyl)ethanamine?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclobutyl)ethanamine is Cc1cc(F)ccc1CC(N)C1(c2ccccc2)CCC1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclobutyl)ethanamine?
The InChIKey is XBDBFHKNJHPSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c1-14-12-17(20)9-8-15(14)13-18(21)19(10-5-11-19)16-6-3-2-4-7-16/h2-4,6-9,12,18H,5,10-11,13,21H2,1H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclobutyl)ethanamine?
2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclobutyl)ethanamine has a molecular weight of 283.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclobutyl)ethanamine is sourced from PubChem (CID 114347866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).