1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine

C14H22FN — CID 105051172

IUPAC1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine
SMILESCCC(C)CC(N)Cc1ccc(F)cc1C
InChIInChI=1S/C14H22FN/c1-4-10(2)7-14(16)9-12-5-6-13(15)8-11(12)3/h5-6,8,10,14H,4,7,9,16H2,1-3H3
InChIKeyGWQBUAGJILVRJF-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.44
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine

1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine (PubChem CID 105051172) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine
PubChem CID105051172
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine
SMILESCCC(C)CC(N)Cc1ccc(F)cc1C
InChIInChI=1S/C14H22FN/c1-4-10(2)7-14(16)9-12-5-6-13(15)8-11(12)3/h5-6,8,10,14H,4,7,9,16H2,1-3H3
InChIKeyGWQBUAGJILVRJF-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114349415
2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine
CID 114347770
1-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)propan-2-amine
CID 114347641
1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347640
1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 105051169
1-(5-fluoro-2-methylphenyl)-4,6,6-trimethylheptan-2-amine
CID 105377488
1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine
CID 62720947
1-(4-fluoro-2-methylphenyl)-3-methylhexan-2-amine
CID 105051076
1-(3-bromo-2-methylpropyl)-4-fluoro-2-methylbenzene
CID 64671392
1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine
CID 105051216
1-(4-fluoro-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105188260

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine (CID 105051172) is 1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine is CCC(C)CC(N)Cc1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine?
The InChIKey is GWQBUAGJILVRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-4-10(2)7-14(16)9-12-5-6-13(15)8-11(12)3/h5-6,8,10,14H,4,7,9,16H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine?
1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine has a molecular weight of 223.34 g/mol, XLogP of 3.44, 5 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)-4-methylhexan-2-amine is sourced from PubChem (CID 105051172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).