1-(4-fluoro-3,5-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine

C18H30FN — CID 65299631

IUPAC1-(4-fluoro-3,5-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine
SMILESCNC(CC(C)CC(C)(C)C)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C18H30FN/c1-12(11-18(4,5)6)8-16(20-7)15-9-13(2)17(19)14(3)10-15/h9-10,12,16,20H,8,11H2,1-7H3
InChIKeyPNTKLJAQFNTEIK-UHFFFAOYSA-N
MW279.44 g/mol
LogP5.17
Rot. Bonds5

About 1-(4-fluoro-3,5-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine

1-(4-fluoro-3,5-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine (PubChem CID 65299631) has the molecular formula C18H30FN and a molecular weight of 279.44 g/mol. Its IUPAC name is 1-(4-fluoro-3,5-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3,5-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine
PubChem CID65299631
Molecular FormulaC18H30FN
Molecular Weight279.44 g/mol
Exact Mass279.24
IUPAC Name1-(4-fluoro-3,5-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine
SMILESCNC(CC(C)CC(C)(C)C)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C18H30FN/c1-12(11-18(4,5)6)8-16(20-7)15-9-13(2)17(19)14(3)10-15/h9-10,12,16,20H,8,11H2,1-7H3
InChIKeyPNTKLJAQFNTEIK-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.44
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine
CID 65299488
1-(4-fluoro-3-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 79746883
1-(2,4-difluoro-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 79724133
3,3,3-trifluoro-1-(4-fluoro-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 65299193
1-(4-fluoro-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 65299194
1-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 43485634
1-(2-fluoro-3-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 105025107
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 103394656
1-(2-ethoxy-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 63505367
1-(4-butylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 63508379
1-(4-fluoro-3-methylphenyl)-N,3-dimethylpentan-1-amine
CID 62601206
1-(3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine
CID 63890228

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3,5-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine?
The IUPAC name of 1-(4-fluoro-3,5-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine (CID 65299631) is 1-(4-fluoro-3,5-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine.
What is the SMILES notation for 1-(4-fluoro-3,5-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine?
The canonical SMILES for 1-(4-fluoro-3,5-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine is CNC(CC(C)CC(C)(C)C)c1cc(C)c(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3,5-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine?
The InChIKey is PNTKLJAQFNTEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN/c1-12(11-18(4,5)6)8-16(20-7)15-9-13(2)17(19)14(3)10-15/h9-10,12,16,20H,8,11H2,1-7H3.
What are the key properties of 1-(4-fluoro-3,5-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine?
1-(4-fluoro-3,5-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine has a molecular weight of 279.44 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3,5-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine is sourced from PubChem (CID 65299631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).