4-(4-fluorophenyl)-2-methylpentan-2-amine

C12H18FN — CID 83907847

IUPAC4-(4-fluorophenyl)-2-methylpentan-2-amine
SMILESCC(CC(C)(C)N)c1ccc(F)cc1
InChIInChI=1S/C12H18FN/c1-9(8-12(2,3)14)10-4-6-11(13)7-5-10/h4-7,9H,8,14H2,1-3H3
InChIKeyYDPHGAWBHSSVJD-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.06
Rot. Bonds3

About 4-(4-fluorophenyl)-2-methylpentan-2-amine

4-(4-fluorophenyl)-2-methylpentan-2-amine (PubChem CID 83907847) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methylpentan-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methylpentan-2-amine
PubChem CID83907847
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name4-(4-fluorophenyl)-2-methylpentan-2-amine
SMILESCC(CC(C)(C)N)c1ccc(F)cc1
InChIInChI=1S/C12H18FN/c1-9(8-12(2,3)14)10-4-6-11(13)7-5-10/h4-7,9H,8,14H2,1-3H3
InChIKeyYDPHGAWBHSSVJD-UHFFFAOYSA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-dimethylpentan-2-yl)-4-fluorobenzene
CID 157107563
4-(4-amino-4-methylpentan-2-yl)phenol
CID 83907598
4-[4-(4-amino-4-methylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine
CID 130368070
4-(4-fluorophenyl)-2,6-dimethyl-5-methylideneheptan-2-amine
CID 58458290
(2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride
CID 170910887
1-butan-2-yl-4-fluorobenzene
CID 11829648
(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
2-amino-5-(4-fluorophenyl)-2,4-dimethylhexanoic acid
CID 151716551
tris[2-(4-fluorophenyl)propyl]alumane;hydrate
CID 141059383
1-fluoro-4-pent-4-yn-2-ylbenzene
CID 83930939
1-(4-bromopentan-2-yl)-4-fluorobenzene
CID 64721249
1-fluoro-4-[(2S)-1-methoxypropan-2-yl]benzene
CID 118373947

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methylpentan-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-2-methylpentan-2-amine (CID 83907847) is 4-(4-fluorophenyl)-2-methylpentan-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methylpentan-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-2-methylpentan-2-amine is CC(CC(C)(C)N)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methylpentan-2-amine?
The InChIKey is YDPHGAWBHSSVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-9(8-12(2,3)14)10-4-6-11(13)7-5-10/h4-7,9H,8,14H2,1-3H3.
What are the key properties of 4-(4-fluorophenyl)-2-methylpentan-2-amine?
4-(4-fluorophenyl)-2-methylpentan-2-amine has a molecular weight of 195.28 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methylpentan-2-amine is sourced from PubChem (CID 83907847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).