2-(3,4-dimethylphenyl)-2-fluoropentan-1-amine

C13H20FN — CID 112567938

IUPAC2-(3,4-dimethylphenyl)-2-fluoropentan-1-amine
SMILESCCCC(F)(CN)c1ccc(C)c(C)c1
InChIInChI=1S/C13H20FN/c1-4-7-13(14,9-15)12-6-5-10(2)11(3)8-12/h5-6,8H,4,7,9,15H2,1-3H3
InChIKeyKVQNWMZISHBDLR-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.23
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-2-fluoropentan-1-amine

2-(3,4-dimethylphenyl)-2-fluoropentan-1-amine (PubChem CID 112567938) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-2-fluoropentan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-2-fluoropentan-1-amine
PubChem CID112567938
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name2-(3,4-dimethylphenyl)-2-fluoropentan-1-amine
SMILESCCCC(F)(CN)c1ccc(C)c(C)c1
InChIInChI=1S/C13H20FN/c1-4-7-13(14,9-15)12-6-5-10(2)11(3)8-12/h5-6,8H,4,7,9,15H2,1-3H3
InChIKeyKVQNWMZISHBDLR-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-ethylphenyl)-2-fluoropentan-1-amine
CID 112567836
2-(3-chlorophenyl)-2-fluoropentan-1-amine
CID 112567951
2-(3,4-dimethylphenyl)-2-fluoro-3-methylbutan-1-amine
CID 112567003
2-fluoro-2-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 112567781
2-(2,5-difluorophenyl)-2-fluoropentan-1-amine
CID 112567838
2-(3,4-dimethylphenyl)-N-ethyl-2-propylpentan-1-amine
CID 63511272
(2S)-2-fluoro-2-(4-methylphenyl)butan-1-amine
CID 129375642
4-[3-(3,4-dimethylphenyl)pentan-3-yl]-1,2-dimethylbenzene
CID 58775966
2-fluoro-2-phenyldodecan-1-amine
CID 115918070
4-(3,4-dimethylphenyl)-4,4-difluoro-2-methylbutan-2-amine
CID 116839496
2-(3,4-dimethylphenyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 82507274
2-(3,4-dimethylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63512435

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-2-fluoropentan-1-amine?
The IUPAC name of 2-(3,4-dimethylphenyl)-2-fluoropentan-1-amine (CID 112567938) is 2-(3,4-dimethylphenyl)-2-fluoropentan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-2-fluoropentan-1-amine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-2-fluoropentan-1-amine is CCCC(F)(CN)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-2-fluoropentan-1-amine?
The InChIKey is KVQNWMZISHBDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-4-7-13(14,9-15)12-6-5-10(2)11(3)8-12/h5-6,8H,4,7,9,15H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-2-fluoropentan-1-amine?
2-(3,4-dimethylphenyl)-2-fluoropentan-1-amine has a molecular weight of 209.31 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-2-fluoropentan-1-amine is sourced from PubChem (CID 112567938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).