1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine

C17H26FNO — CID 65299103

IUPAC1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCCO1)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C17H26FNO/c1-12-10-14(11-13(2)17(12)18)16(19-3)8-7-15-6-4-5-9-20-15/h10-11,15-16,19H,4-9H2,1-3H3
InChIKeyIMQARESVOJKWNY-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.05
Rot. Bonds5

About 1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine

1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine (PubChem CID 65299103) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
PubChem CID65299103
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCCO1)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C17H26FNO/c1-12-10-14(11-13(2)17(12)18)16(19-3)8-7-15-6-4-5-9-20-15/h10-11,15-16,19H,4-9H2,1-3H3
InChIKeyIMQARESVOJKWNY-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2,6-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 106877800
1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 115828162
1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 105022709
N-ethyl-3-(oxolan-2-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 65164240
N-methyl-1-(5-methylthiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104991220
1-(cyclopenten-1-yl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 63953544
1-(3-bromo-4-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 104993732
N-methyl-3-(oxan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 63951733
1-(3-bromo-5-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 107946074
N-methyl-3-(oxan-2-yl)-1-(3-propylphenyl)propan-1-amine
CID 105050527
1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65154712
N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine
CID 65167446

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of 1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine (CID 65299103) is 1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine is CNC(CCC1CCCCO1)c1cc(C)c(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine?
The InChIKey is IMQARESVOJKWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-12-10-14(11-13(2)17(12)18)16(19-3)8-7-15-6-4-5-9-20-15/h10-11,15-16,19H,4-9H2,1-3H3.
What are the key properties of 1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine?
1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 65299103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).