6-(5-fluoro-2-methylphenyl)-N,2,2-trimethylhexan-3-amine

C16H26FN — CID 105375532

IUPAC6-(5-fluoro-2-methylphenyl)-N,2,2-trimethylhexan-3-amine
SMILESCNC(CCCc1cc(F)ccc1C)C(C)(C)C
InChIInChI=1S/C16H26FN/c1-12-9-10-14(17)11-13(12)7-6-8-15(18-5)16(2,3)4/h9-11,15,18H,6-8H2,1-5H3
InChIKeyPBQHUTAYYZFXRQ-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.09
Rot. Bonds5

About 6-(5-fluoro-2-methylphenyl)-N,2,2-trimethylhexan-3-amine

6-(5-fluoro-2-methylphenyl)-N,2,2-trimethylhexan-3-amine (PubChem CID 105375532) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 6-(5-fluoro-2-methylphenyl)-N,2,2-trimethylhexan-3-amine.

Molecular Properties

Compound Name6-(5-fluoro-2-methylphenyl)-N,2,2-trimethylhexan-3-amine
PubChem CID105375532
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name6-(5-fluoro-2-methylphenyl)-N,2,2-trimethylhexan-3-amine
SMILESCNC(CCCc1cc(F)ccc1C)C(C)(C)C
InChIInChI=1S/C16H26FN/c1-12-9-10-14(17)11-13(12)7-6-8-15(18-5)16(2,3)4/h9-11,15,18H,6-8H2,1-5H3
InChIKeyPBQHUTAYYZFXRQ-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,4,4-trimethyl-1-(2,4,5-trimethylphenyl)pentan-3-amine
CID 64989716
1-(5-fluoro-2-methylphenyl)-N-propylheptan-4-amine
CID 105375522
1-(5-fluoro-2-nitrophenyl)-N,4,4-trimethylpentan-3-amine
CID 54891057
1-(2-bromo-5-fluorophenyl)-N,3,3-trimethylbutan-2-amine
CID 62599843
1-(5-fluoro-2-methylphenyl)-N,2-dimethylpropan-2-amine
CID 83698852
1-(5-fluoro-2-methylphenyl)-5-methylhexan-3-ol
CID 105374706
5-(2,5-difluorophenyl)-N-methylpentan-2-amine
CID 64502622
4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 105375543
1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine
CID 105373655
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
4-(5-fluoro-2-methylphenyl)-N,3,3-trimethylbutan-1-amine
CID 105376290
1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine
CID 105377260

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-methylphenyl)-N,2,2-trimethylhexan-3-amine?
The IUPAC name of 6-(5-fluoro-2-methylphenyl)-N,2,2-trimethylhexan-3-amine (CID 105375532) is 6-(5-fluoro-2-methylphenyl)-N,2,2-trimethylhexan-3-amine.
What is the SMILES notation for 6-(5-fluoro-2-methylphenyl)-N,2,2-trimethylhexan-3-amine?
The canonical SMILES for 6-(5-fluoro-2-methylphenyl)-N,2,2-trimethylhexan-3-amine is CNC(CCCc1cc(F)ccc1C)C(C)(C)C.
What is the InChIKey of 6-(5-fluoro-2-methylphenyl)-N,2,2-trimethylhexan-3-amine?
The InChIKey is PBQHUTAYYZFXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-12-9-10-14(17)11-13(12)7-6-8-15(18-5)16(2,3)4/h9-11,15,18H,6-8H2,1-5H3.
What are the key properties of 6-(5-fluoro-2-methylphenyl)-N,2,2-trimethylhexan-3-amine?
6-(5-fluoro-2-methylphenyl)-N,2,2-trimethylhexan-3-amine has a molecular weight of 251.39 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-methylphenyl)-N,2,2-trimethylhexan-3-amine is sourced from PubChem (CID 105375532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).