1-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine

C17H28FNO — CID 43485634

IUPAC1-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
SMILESCNC(CC(C)CC(C)(C)C)c1cc(F)ccc1OC
InChIInChI=1S/C17H28FNO/c1-12(11-17(2,3)4)9-15(19-5)14-10-13(18)7-8-16(14)20-6/h7-8,10,12,15,19H,9,11H2,1-6H3
InChIKeyMVKHQPKMYQPEEB-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.56
Rot. Bonds6

About 1-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine

1-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine (PubChem CID 43485634) has the molecular formula C17H28FNO and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
PubChem CID43485634
Molecular FormulaC17H28FNO
Molecular Weight281.42 g/mol
Exact Mass281.22
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
SMILESCNC(CC(C)CC(C)(C)C)c1cc(F)ccc1OC
InChIInChI=1S/C17H28FNO/c1-12(11-17(2,3)4)9-15(19-5)14-10-13(18)7-8-16(14)20-6/h7-8,10,12,15,19H,9,11H2,1-6H3
InChIKeyMVKHQPKMYQPEEB-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 105025107
1-(5-fluoro-2-methoxyphenyl)-3,5,5-trimethylhexan-1-ol
CID 61087087
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 103394656
1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 43122340
1-(5-fluoro-2-methoxyphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950446
1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
CID 116949834
1-(2-ethoxy-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 63505367
1-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43485635
1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine
CID 82769055
[1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025453
1-(5-fluoro-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105176598
1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 82769952

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine (CID 43485634) is 1-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine is CNC(CC(C)CC(C)(C)C)c1cc(F)ccc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine?
The InChIKey is MVKHQPKMYQPEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-12(11-17(2,3)4)9-15(19-5)14-10-13(18)7-8-16(14)20-6/h7-8,10,12,15,19H,9,11H2,1-6H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine?
1-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine is sourced from PubChem (CID 43485634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).