1-(2-fluoro-4-methylphenyl)-N,5,5-trimethylhexan-1-amine

C16H26FN — CID 114210914

IUPAC1-(2-fluoro-4-methylphenyl)-N,5,5-trimethylhexan-1-amine
SMILESCNC(CCCC(C)(C)C)c1ccc(C)cc1F
InChIInChI=1S/C16H26FN/c1-12-8-9-13(14(17)11-12)15(18-5)7-6-10-16(2,3)4/h8-9,11,15,18H,6-7,10H2,1-5H3
InChIKeyZROJMPAHNKVDLR-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.61
Rot. Bonds5

About 1-(2-fluoro-4-methylphenyl)-N,5,5-trimethylhexan-1-amine

1-(2-fluoro-4-methylphenyl)-N,5,5-trimethylhexan-1-amine (PubChem CID 114210914) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-N,5,5-trimethylhexan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-N,5,5-trimethylhexan-1-amine
PubChem CID114210914
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name1-(2-fluoro-4-methylphenyl)-N,5,5-trimethylhexan-1-amine
SMILESCNC(CCCC(C)(C)C)c1ccc(C)cc1F
InChIInChI=1S/C16H26FN/c1-12-8-9-13(14(17)11-12)15(18-5)7-6-10-16(2,3)4/h8-9,11,15,18H,6-7,10H2,1-5H3
InChIKeyZROJMPAHNKVDLR-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine
CID 115845233
5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine
CID 115517528
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 105412480
1-(2-fluoro-5-methylphenyl)-N-methylhexan-1-amine
CID 115837280
5,5,5-trifluoro-1-(2-fluoro-4-methylphenyl)pentan-1-ol
CID 115828331
1-(2,4-difluorophenyl)-N-methylpentan-1-amine
CID 43484085
1-(2-fluoro-4-methylphenyl)hexylhydrazine
CID 105294599
1-(2,4-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105143608
2-cyclopentyl-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 115847143
1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43484135
1-(2-ethylphenyl)-N,5,5-trimethylhexan-1-amine
CID 114211088
1-(2,6-dimethyl-4-pyridinyl)-N,5,5-trimethylhexan-1-amine
CID 114210054

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-N,5,5-trimethylhexan-1-amine?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-N,5,5-trimethylhexan-1-amine (CID 114210914) is 1-(2-fluoro-4-methylphenyl)-N,5,5-trimethylhexan-1-amine.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-N,5,5-trimethylhexan-1-amine?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-N,5,5-trimethylhexan-1-amine is CNC(CCCC(C)(C)C)c1ccc(C)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-N,5,5-trimethylhexan-1-amine?
The InChIKey is ZROJMPAHNKVDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-12-8-9-13(14(17)11-12)15(18-5)7-6-10-16(2,3)4/h8-9,11,15,18H,6-7,10H2,1-5H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-N,5,5-trimethylhexan-1-amine?
1-(2-fluoro-4-methylphenyl)-N,5,5-trimethylhexan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-N,5,5-trimethylhexan-1-amine is sourced from PubChem (CID 114210914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).