1-(4-fluoro-2,6-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine

C17H26FNO — CID 106877800

IUPAC1-(4-fluoro-2,6-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCCO1)c1c(C)cc(F)cc1C
InChIInChI=1S/C17H26FNO/c1-12-10-14(18)11-13(2)17(12)16(19-3)8-7-15-6-4-5-9-20-15/h10-11,15-16,19H,4-9H2,1-3H3
InChIKeyJZCAEMJRHURZPD-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.05
Rot. Bonds5

About 1-(4-fluoro-2,6-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine

1-(4-fluoro-2,6-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine (PubChem CID 106877800) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-(4-fluoro-2,6-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-2,6-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
PubChem CID106877800
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name1-(4-fluoro-2,6-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCCO1)c1c(C)cc(F)cc1C
InChIInChI=1S/C17H26FNO/c1-12-10-14(18)11-13(2)17(12)16(19-3)8-7-15-6-4-5-9-20-15/h10-11,15-16,19H,4-9H2,1-3H3
InChIKeyJZCAEMJRHURZPD-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-3,5-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 65299103
1-(4-fluoro-2,6-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 106877357
1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 105412438
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
1-(cyclopenten-1-yl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 63953544
N-ethyl-3-(oxolan-2-yl)-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 65156525
1-(2,5-dimethylthiophen-3-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156219
1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65164610
1-(4-bromo-2,6-difluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 104993350
N-methyl-1-(5-methylthiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104991220
2-[3-chloro-3-(2,4-difluoro-5-methylphenyl)propyl]oxane
CID 79730448

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,6-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of 1-(4-fluoro-2,6-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine (CID 106877800) is 1-(4-fluoro-2,6-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-fluoro-2,6-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-fluoro-2,6-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine is CNC(CCC1CCCCO1)c1c(C)cc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2,6-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine?
The InChIKey is JZCAEMJRHURZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-12-10-14(18)11-13(2)17(12)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-2,6-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine?
1-(4-fluoro-2,6-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-2,6-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 106877800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).