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

C15H24FN — CID 105050915

IUPAC1-(4-fluoro-2-methylphenyl)-N,3-dimethylhexan-2-amine
SMILESCCCC(C)C(Cc1ccc(F)cc1C)NC
InChIInChI=1S/C15H24FN/c1-5-6-11(2)15(17-4)10-13-7-8-14(16)9-12(13)3/h7-9,11,15,17H,5-6,10H2,1-4H3
InChIKeyHYZWZTFFZKWYSJ-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.70
Rot. Bonds6

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

1-(4-fluoro-2-methylphenyl)-N,3-dimethylhexan-2-amine (PubChem CID 105050915) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N,3-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N,3-dimethylhexan-2-amine
PubChem CID105050915
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name1-(4-fluoro-2-methylphenyl)-N,3-dimethylhexan-2-amine
SMILESCCCC(C)C(Cc1ccc(F)cc1C)NC
InChIInChI=1S/C15H24FN/c1-5-6-11(2)15(17-4)10-13-7-8-14(16)9-12(13)3/h7-9,11,15,17H,5-6,10H2,1-4H3
InChIKeyHYZWZTFFZKWYSJ-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-2-amine
CID 114347916
1-(4-fluoro-2-methylphenyl)-3-methylhexan-2-amine
CID 105051076
N-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine
CID 105051215
1-(2-fluoro-3-methoxyphenyl)-N,3-dimethylhexan-2-amine
CID 105035410
1-(5-fluoro-2-methylphenyl)-3-methoxy-N-methylhexan-2-amine
CID 105374363
1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine
CID 105051216
3-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-2-amine
CID 105373925
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
N-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine
CID 62201141
3-(2,4-difluorophenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103759864
5-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-2-amine
CID 105188238
3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine
CID 114348390

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N,3-dimethylhexan-2-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N,3-dimethylhexan-2-amine (CID 105050915) is 1-(4-fluoro-2-methylphenyl)-N,3-dimethylhexan-2-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N,3-dimethylhexan-2-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N,3-dimethylhexan-2-amine is CCCC(C)C(Cc1ccc(F)cc1C)NC.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N,3-dimethylhexan-2-amine?
The InChIKey is HYZWZTFFZKWYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-5-6-11(2)15(17-4)10-13-7-8-14(16)9-12(13)3/h7-9,11,15,17H,5-6,10H2,1-4H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N,3-dimethylhexan-2-amine?
1-(4-fluoro-2-methylphenyl)-N,3-dimethylhexan-2-amine has a molecular weight of 237.36 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N,3-dimethylhexan-2-amine is sourced from PubChem (CID 105050915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).