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

C16H24FNO — CID 106877357

IUPAC1-(4-fluoro-2,6-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
SMILESCc1cc(F)cc(C)c1C(N)CCC1CCCCO1
InChIInChI=1S/C16H24FNO/c1-11-9-13(17)10-12(2)16(11)15(18)7-6-14-5-3-4-8-19-14/h9-10,14-15H,3-8,18H2,1-2H3
InChIKeyLYLKIFLRYMZMIS-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.79
Rot. Bonds4

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

1-(4-fluoro-2,6-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine (PubChem CID 106877357) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-(4-fluoro-2,6-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-2,6-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
PubChem CID106877357
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-(4-fluoro-2,6-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
SMILESCc1cc(F)cc(C)c1C(N)CCC1CCCCO1
InChIInChI=1S/C16H24FNO/c1-11-9-13(17)10-12(2)16(11)15(18)7-6-14-5-3-4-8-19-14/h9-10,14-15H,3-8,18H2,1-2H3
InChIKeyLYLKIFLRYMZMIS-UHFFFAOYSA-N
XLogP3.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(oxan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 63952126
1-(4-fluoro-2,6-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 106877800
3-(oxan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990469
3-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 65155041
1-(3,5-difluorophenyl)-4-(oxan-2-yl)butan-2-amine
CID 105412483
1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 83056985
1-(2,5-dimethylthiophen-3-yl)-3-(oxan-2-yl)propan-1-amine
CID 63953738
1-(5-bromo-4-methylthiophen-2-yl)-3-(oxan-2-yl)propan-1-amine
CID 79991199
2-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 65154946
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 105013577
1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 105412438
1-(5-bromo-4-fluoro-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 103394442

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,6-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of 1-(4-fluoro-2,6-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine (CID 106877357) is 1-(4-fluoro-2,6-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-fluoro-2,6-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-fluoro-2,6-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine is Cc1cc(F)cc(C)c1C(N)CCC1CCCCO1.
What is the InChIKey of 1-(4-fluoro-2,6-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine?
The InChIKey is LYLKIFLRYMZMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-11-9-13(17)10-12(2)16(11)15(18)7-6-14-5-3-4-8-19-14/h9-10,14-15H,3-8,18H2,1-2H3.
What are the key properties of 1-(4-fluoro-2,6-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine?
1-(4-fluoro-2,6-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.79, 4 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)-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 106877357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).