1-(4-fluorophenyl)-4,4-dimethylpentan-2-amine

C13H20FN — CID 61079242

IUPAC1-(4-fluorophenyl)-4,4-dimethylpentan-2-amine
SMILESCC(C)(C)CC(N)Cc1ccc(F)cc1
InChIInChI=1S/C13H20FN/c1-13(2,3)9-12(15)8-10-4-6-11(14)7-5-10/h4-7,12H,8-9,15H2,1-3H3
InChIKeyRPQWTWISMLLUGH-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.13
Rot. Bonds3

About 1-(4-fluorophenyl)-4,4-dimethylpentan-2-amine

1-(4-fluorophenyl)-4,4-dimethylpentan-2-amine (PubChem CID 61079242) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4,4-dimethylpentan-2-amine
PubChem CID61079242
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name1-(4-fluorophenyl)-4,4-dimethylpentan-2-amine
SMILESCC(C)(C)CC(N)Cc1ccc(F)cc1
InChIInChI=1S/C13H20FN/c1-13(2,3)9-12(15)8-10-4-6-11(14)7-5-10/h4-7,12H,8-9,15H2,1-3H3
InChIKeyRPQWTWISMLLUGH-UHFFFAOYSA-N
XLogP3.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2R)-2-amino-4,4-dimethylpentyl]phenol
CID 96616484
1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 103040033
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63889804
1-(3-bromo-5-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 79708487
1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 63890430
1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 62473089
3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine
CID 22958965
1-(4-fluorophenyl)undecan-2-amine
CID 63412478
1-(4-fluorophenyl)octan-2-amine
CID 62600868
1-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)propan-2-amine
CID 114347641
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-2-amine
CID 79820432
2-amino-3-(4-fluorophenyl)propanenitrile
CID 45090820

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4,4-dimethylpentan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-4,4-dimethylpentan-2-amine (CID 61079242) is 1-(4-fluorophenyl)-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-4,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-4,4-dimethylpentan-2-amine is CC(C)(C)CC(N)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4,4-dimethylpentan-2-amine?
The InChIKey is RPQWTWISMLLUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-13(2,3)9-12(15)8-10-4-6-11(14)7-5-10/h4-7,12H,8-9,15H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-4,4-dimethylpentan-2-amine?
1-(4-fluorophenyl)-4,4-dimethylpentan-2-amine has a molecular weight of 209.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 61079242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).