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

C17H28FNO — CID 105025107

IUPAC1-(2-fluoro-3-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
SMILESCNC(CC(C)CC(C)(C)C)c1cccc(OC)c1F
InChIInChI=1S/C17H28FNO/c1-12(11-17(2,3)4)10-14(19-5)13-8-7-9-15(20-6)16(13)18/h7-9,12,14,19H,10-11H2,1-6H3
InChIKeyFEAZGHCYGRXJKK-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.56
Rot. Bonds6

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

1-(2-fluoro-3-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine (PubChem CID 105025107) has the molecular formula C17H28FNO and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
PubChem CID105025107
Molecular FormulaC17H28FNO
Molecular Weight281.42 g/mol
Exact Mass281.22
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
SMILESCNC(CC(C)CC(C)(C)C)c1cccc(OC)c1F
InChIInChI=1S/C17H28FNO/c1-12(11-17(2,3)4)10-14(19-5)13-8-7-9-15(20-6)16(13)18/h7-9,12,14,19H,10-11H2,1-6H3
InChIKeyFEAZGHCYGRXJKK-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-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 43485634
1-(2-fluoro-3-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 105174719
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 103394656
1-(2,3-difluorophenyl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 115861992
1-(2-methoxy-3,4-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 103435247
1-(4-fluoro-3,5-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 65299631
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757780
1-(3-bromo-2-fluorophenyl)-4-methoxy-N,3-dimethylbutan-1-amine
CID 106648190
4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-1-amine
CID 105174760
1-(5-fluoro-2-methoxyphenyl)-3,5,5-trimethylhexan-1-ol
CID 61087087
1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 82808523
1-isoquinolin-8-yl-N,3,5,5-tetramethylhexan-1-amine
CID 103135986

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine (CID 105025107) is 1-(2-fluoro-3-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine is CNC(CC(C)CC(C)(C)C)c1cccc(OC)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine?
The InChIKey is FEAZGHCYGRXJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-12(11-17(2,3)4)10-14(19-5)13-8-7-9-15(20-6)16(13)18/h7-9,12,14,19H,10-11H2,1-6H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine?
1-(2-fluoro-3-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-(2-fluoro-3-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine is sourced from PubChem (CID 105025107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).