1-(2-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine

C15H24FN — CID 115845233

IUPAC1-(2-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine
SMILESCCCC(C)CC(NC)c1ccc(C)cc1F
InChIInChI=1S/C15H24FN/c1-5-6-11(2)10-15(17-4)13-8-7-12(3)9-14(13)16/h7-9,11,15,17H,5-6,10H2,1-4H3
InChIKeyOCKAJBKPIMIBHK-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.22
Rot. Bonds6

About 1-(2-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine

1-(2-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine (PubChem CID 115845233) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine
PubChem CID115845233
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name1-(2-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine
SMILESCCCC(C)CC(NC)c1ccc(C)cc1F
InChIInChI=1S/C15H24FN/c1-5-6-11(2)10-15(17-4)13-8-7-12(3)9-14(13)16/h7-9,11,15,17H,5-6,10H2,1-4H3
InChIKeyOCKAJBKPIMIBHK-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine
CID 63084219
1-(3-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine
CID 62599815
1-(2,4-dibromophenyl)-N,3-dimethylhexan-1-amine
CID 107945526
1-(2-fluoro-4-methylphenyl)-N,5,5-trimethylhexan-1-amine
CID 114210914
1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine
CID 115845635
1-(4-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine
CID 115845267
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 105412480
1-(2,4-difluorophenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949729
1-(4-bromo-3-fluorophenyl)-N,3-dimethylhexan-1-amine
CID 115845296
1-(2-bromo-4-methylphenyl)-N-ethyl-3-methylhexan-1-amine
CID 115845391
[1-(2-fluoro-4-methoxyphenyl)-3-methylhexyl]hydrazine
CID 105256894
[1-(2-fluoro-4-methylphenyl)-3-methylbutyl]hydrazine
CID 105282720

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine (CID 115845233) is 1-(2-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine is CCCC(C)CC(NC)c1ccc(C)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine?
The InChIKey is OCKAJBKPIMIBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-5-6-11(2)10-15(17-4)13-8-7-12(3)9-14(13)16/h7-9,11,15,17H,5-6,10H2,1-4H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine?
1-(2-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 4.22, 6 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,3-dimethylhexan-1-amine is sourced from PubChem (CID 115845233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).