5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine

C13H20FN — CID 114349415

IUPAC5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
SMILESCc1cc(F)ccc1CC(C)CC(C)N
InChIInChI=1S/C13H20FN/c1-9(6-11(3)15)7-12-4-5-13(14)8-10(12)2/h4-5,8-9,11H,6-7,15H2,1-3H3
InChIKeyYMMIMZCVQSZBNE-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.05
Rot. Bonds4

About 5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine

5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine (PubChem CID 114349415) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
PubChem CID114349415
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
SMILESCc1cc(F)ccc1CC(C)CC(C)N
InChIInChI=1S/C13H20FN/c1-9(6-11(3)15)7-12-4-5-13(14)8-10(12)2/h4-5,8-9,11H,6-7,15H2,1-3H3
InChIKeyYMMIMZCVQSZBNE-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-methylpropyl)-4-fluoro-2-methylbenzene
CID 64671392
1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine
CID 105051172
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
1-[2-(bromomethyl)-3-methylbutyl]-4-fluoro-2-methylbenzene
CID 114349908
5-(4-fluoro-2-methylphenyl)pentan-2-amine
CID 114349377
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532
2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine
CID 114347619
1-(4-fluoro-2-methylphenyl)-3-methoxybutan-2-amine
CID 114348131
3-(4-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64664397
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine?
The IUPAC name of 5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine (CID 114349415) is 5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine.
What is the SMILES notation for 5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine?
The canonical SMILES for 5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine is Cc1cc(F)ccc1CC(C)CC(C)N.
What is the InChIKey of 5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine?
The InChIKey is YMMIMZCVQSZBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-9(6-11(3)15)7-12-4-5-13(14)8-10(12)2/h4-5,8-9,11H,6-7,15H2,1-3H3.
What are the key properties of 5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine?
5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine has a molecular weight of 209.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine is sourced from PubChem (CID 114349415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).