1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine

C15H24FNO — CID 83162028

IUPAC1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine
SMILESCNC(CCCC(C)C)c1ccc(OC)cc1F
InChIInChI=1S/C15H24FNO/c1-11(2)6-5-7-15(17-3)13-9-8-12(18-4)10-14(13)16/h8-11,15,17H,5-7H2,1-4H3
InChIKeyJYARKJVAVURBKH-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.92
Rot. Bonds7

About 1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine

1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine (PubChem CID 83162028) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine
PubChem CID83162028
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine
SMILESCNC(CCCC(C)C)c1ccc(OC)cc1F
InChIInChI=1S/C15H24FNO/c1-11(2)6-5-7-15(17-3)13-9-8-12(18-4)10-14(13)16/h8-11,15,17H,5-7H2,1-4H3
InChIKeyJYARKJVAVURBKH-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine
CID 115517528
1-(2-fluoro-4-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 103395769
1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028971
1-(2-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 103397395
3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 43561384
1-(2-fluoro-4-methoxyphenyl)-4-methyl-N-propylpentan-1-amine
CID 43561596
1-(2-fluoro-4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 81304740
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43561357
4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol
CID 116952940
2-(4-chlorophenoxy)-1-(2-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 103397391
1-(2-fluoro-4-methoxyphenyl)heptylhydrazine
CID 105256947
(1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171200097

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine (CID 83162028) is 1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine is CNC(CCCC(C)C)c1ccc(OC)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine?
The InChIKey is JYARKJVAVURBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-11(2)6-5-7-15(17-3)13-9-8-12(18-4)10-14(13)16/h8-11,15,17H,5-7H2,1-4H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine?
1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine is sourced from PubChem (CID 83162028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).