4-(2-fluorophenyl)-N,2-dimethylhexan-3-amine

C14H22FN — CID 112680293

IUPAC4-(2-fluorophenyl)-N,2-dimethylhexan-3-amine
SMILESCCC(c1ccccc1F)C(NC)C(C)C
InChIInChI=1S/C14H22FN/c1-5-11(14(16-4)10(2)3)12-8-6-7-9-13(12)15/h6-11,14,16H,5H2,1-4H3
InChIKeyHIWDUCFJEXJARF-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.56
Rot. Bonds5

About 4-(2-fluorophenyl)-N,2-dimethylhexan-3-amine

4-(2-fluorophenyl)-N,2-dimethylhexan-3-amine (PubChem CID 112680293) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N,2-dimethylhexan-3-amine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N,2-dimethylhexan-3-amine
PubChem CID112680293
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name4-(2-fluorophenyl)-N,2-dimethylhexan-3-amine
SMILESCCC(c1ccccc1F)C(NC)C(C)C
InChIInChI=1S/C14H22FN/c1-5-11(14(16-4)10(2)3)12-8-6-7-9-13(12)15/h6-11,14,16H,5H2,1-4H3
InChIKeyHIWDUCFJEXJARF-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromoheptan-3-yl)-2-fluorobenzene
CID 112680311
1-(1-chloro-3-methylbutan-2-yl)-2-fluorobenzene
CID 79019767
N-ethyl-2-(2-fluorophenyl)-3-methylpentan-1-amine
CID 79443669
3-(2-fluorophenyl)-4-methylpentan-1-amine
CID 82076064
N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine
CID 60928177
2-(2-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 66242392
2-ethoxy-1-(2-fluorophenyl)-N,3-dimethylbutan-1-amine
CID 116721271
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
2-(2-fluorophenyl)-N-propylpentan-3-amine
CID 79308291
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene
CID 138464950
N'-butan-2-yl-1-(2-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 62644105

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N,2-dimethylhexan-3-amine?
The IUPAC name of 4-(2-fluorophenyl)-N,2-dimethylhexan-3-amine (CID 112680293) is 4-(2-fluorophenyl)-N,2-dimethylhexan-3-amine.
What is the SMILES notation for 4-(2-fluorophenyl)-N,2-dimethylhexan-3-amine?
The canonical SMILES for 4-(2-fluorophenyl)-N,2-dimethylhexan-3-amine is CCC(c1ccccc1F)C(NC)C(C)C.
What is the InChIKey of 4-(2-fluorophenyl)-N,2-dimethylhexan-3-amine?
The InChIKey is HIWDUCFJEXJARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-5-11(14(16-4)10(2)3)12-8-6-7-9-13(12)15/h6-11,14,16H,5H2,1-4H3.
What are the key properties of 4-(2-fluorophenyl)-N,2-dimethylhexan-3-amine?
4-(2-fluorophenyl)-N,2-dimethylhexan-3-amine has a molecular weight of 223.34 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N,2-dimethylhexan-3-amine is sourced from PubChem (CID 112680293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).