1-(2-fluoro-3-methylphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine

C16H24FNO — CID 104993224

IUPAC1-(2-fluoro-3-methylphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
SMILESCNC(CCCC1CCCO1)c1cccc(C)c1F
InChIInChI=1S/C16H24FNO/c1-12-6-3-9-14(16(12)17)15(18-2)10-4-7-13-8-5-11-19-13/h3,6,9,13,15,18H,4-5,7-8,10-11H2,1-2H3
InChIKeyWMCFAAUDMDZXGA-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.74
Rot. Bonds6

About 1-(2-fluoro-3-methylphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine

1-(2-fluoro-3-methylphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine (PubChem CID 104993224) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
PubChem CID104993224
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-(2-fluoro-3-methylphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
SMILESCNC(CCCC1CCCO1)c1cccc(C)c1F
InChIInChI=1S/C16H24FNO/c1-12-6-3-9-14(16(12)17)15(18-2)10-4-7-13-8-5-11-19-13/h3,6,9,13,15,18H,4-5,7-8,10-11H2,1-2H3
InChIKeyWMCFAAUDMDZXGA-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 104993115
1-(2-bromo-3-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 114024223
1-(4-chloro-2-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65164563
[1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314004
1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 115828162
1-(2-fluoro-4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 81304740
1-[2-(difluoromethoxy)phenyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 104993696
1-(4-bromo-2,6-difluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 104993350
1-(2,3-difluorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 104993032
1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine
CID 115832230
1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65164610
1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65167486

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine (CID 104993224) is 1-(2-fluoro-3-methylphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine is CNC(CCCC1CCCO1)c1cccc(C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is WMCFAAUDMDZXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-12-6-3-9-14(16(12)17)15(18-2)10-4-7-13-8-5-11-19-13/h3,6,9,13,15,18H,4-5,7-8,10-11H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methylphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine?
1-(2-fluoro-3-methylphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 104993224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).