1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine

C16H26FN — CID 105051216

IUPAC1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine
SMILESCCCC(CCC)C(N)Cc1ccc(F)cc1C
InChIInChI=1S/C16H26FN/c1-4-6-13(7-5-2)16(18)11-14-8-9-15(17)10-12(14)3/h8-10,13,16H,4-7,11,18H2,1-3H3
InChIKeyUEIWGCKARJWJQF-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.22
Rot. Bonds7

About 1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine

1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine (PubChem CID 105051216) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine
PubChem CID105051216
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine
SMILESCCCC(CCC)C(N)Cc1ccc(F)cc1C
InChIInChI=1S/C16H26FN/c1-4-6-13(7-5-2)16(18)11-14-8-9-15(17)10-12(14)3/h8-10,13,16H,4-7,11,18H2,1-3H3
InChIKeyUEIWGCKARJWJQF-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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-(4-fluoro-2-methylphenyl)-3-methoxybutan-2-amine
CID 114348131
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532
1-(4-fluoro-2-methylphenyl)-N,3-dimethylhexan-2-amine
CID 105050915
1-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)propan-2-amine
CID 114347641
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine
CID 114347770
5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114349415
(1S)-1-(4-fluoro-2-methylphenyl)butan-1-amine;hydrochloride
CID 171221352
1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine
CID 105051172
ethyl 3-(4-fluoro-2-methylphenyl)-2-hydroxypropanoate
CID 114346916

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine (CID 105051216) is 1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine is CCCC(CCC)C(N)Cc1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine?
The InChIKey is UEIWGCKARJWJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-4-6-13(7-5-2)16(18)11-14-8-9-15(17)10-12(14)3/h8-10,13,16H,4-7,11,18H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine?
1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine has a molecular weight of 251.39 g/mol, XLogP of 4.22, 7 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)-3-propylhexan-2-amine is sourced from PubChem (CID 105051216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).