2-(4-fluorophenyl)-4-methylhexan-1-amine

C13H20FN — CID 79441509

IUPAC2-(4-fluorophenyl)-4-methylhexan-1-amine
SMILESCCC(C)CC(CN)c1ccc(F)cc1
InChIInChI=1S/C13H20FN/c1-3-10(2)8-12(9-15)11-4-6-13(14)7-5-11/h4-7,10,12H,3,8-9,15H2,1-2H3
InChIKeyUTZVWLAYXWAUNM-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.30
Rot. Bonds5

About 2-(4-fluorophenyl)-4-methylhexan-1-amine

2-(4-fluorophenyl)-4-methylhexan-1-amine (PubChem CID 79441509) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methylhexan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methylhexan-1-amine
PubChem CID79441509
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name2-(4-fluorophenyl)-4-methylhexan-1-amine
SMILESCCC(C)CC(CN)c1ccc(F)cc1
InChIInChI=1S/C13H20FN/c1-3-10(2)8-12(9-15)11-4-6-13(14)7-5-11/h4-7,10,12H,3,8-9,15H2,1-2H3
InChIKeyUTZVWLAYXWAUNM-UHFFFAOYSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-2-(4-methylphenyl)hexan-1-amine
CID 79436258
N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79442362
1-amino-4-(4-fluorophenyl)hexan-2-ol
CID 83930990
1-fluoro-4-[(2S)-4-methylhexan-2-yl]benzene
CID 118425163
N-tert-butyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79437531
3-(4-fluorophenyl)pentan-1-amine
CID 15014572
2-(4-fluorophenyl)hexan-1-amine
CID 79442321
2-(4-fluorophenyl)-6-methylheptan-1-amine
CID 83169540
2-(4-fluorophenyl)heptan-1-amine
CID 79442393
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol
CID 46911819
3-amino-2-(4-fluorophenyl)propane-1-thiol
CID 117245030
3-ethylperoxy-2-(4-fluorophenyl)propan-1-amine
CID 88585550

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-methylhexan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-4-methylhexan-1-amine (CID 79441509) is 2-(4-fluorophenyl)-4-methylhexan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methylhexan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-4-methylhexan-1-amine is CCC(C)CC(CN)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-methylhexan-1-amine?
The InChIKey is UTZVWLAYXWAUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-3-10(2)8-12(9-15)11-4-6-13(14)7-5-11/h4-7,10,12H,3,8-9,15H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-4-methylhexan-1-amine?
2-(4-fluorophenyl)-4-methylhexan-1-amine has a molecular weight of 209.31 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methylhexan-1-amine is sourced from PubChem (CID 79441509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).