4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-N-propylpentan-2-amine

C16H23F4N — CID 107290258

IUPAC4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)(C)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C16H23F4N/c1-5-8-21-11(2)10-15(3,4)12-6-7-14(17)13(9-12)16(18,19)20/h6-7,9,11,21H,5,8,10H2,1-4H3
InChIKeyOSXQXBFUQVZJLK-UHFFFAOYSA-N
MW305.36 g/mol
LogP4.90
Rot. Bonds6

About 4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-N-propylpentan-2-amine

4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-N-propylpentan-2-amine (PubChem CID 107290258) has the molecular formula C16H23F4N and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-N-propylpentan-2-amine
PubChem CID107290258
Molecular FormulaC16H23F4N
Molecular Weight305.36 g/mol
Exact Mass305.18
IUPAC Name4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)(C)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C16H23F4N/c1-5-8-21-11(2)10-15(3,4)12-6-7-14(17)13(9-12)16(18,19)20/h6-7,9,11,21H,5,8,10H2,1-4H3
InChIKeyOSXQXBFUQVZJLK-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-chloro-2-methylpentan-2-yl)-1-fluoro-2-(trifluoromethyl)benzene
CID 107290343
3,3,3-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
CID 107288813
4-(3,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine
CID 64715126
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine
CID 107291848
N-ethyl-4-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 64716592
4-(5-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 79739119
N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]pentan-2-amine
CID 102747632
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylprop-2-en-1-amine
CID 105005621
N-ethyl-4-methyl-4-[2-(trifluoromethyl)phenyl]pentan-2-amine
CID 64715335
N-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 115854344
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylsulfanyl-N-propylpropan-1-amine
CID 107291810
N-ethyl-4-methyl-4-(4-propan-2-ylphenyl)pentan-2-amine
CID 64716808

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-N-propylpentan-2-amine (CID 107290258) is 4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-N-propylpentan-2-amine is CCCNC(C)CC(C)(C)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-N-propylpentan-2-amine?
The InChIKey is OSXQXBFUQVZJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F4N/c1-5-8-21-11(2)10-15(3,4)12-6-7-14(17)13(9-12)16(18,19)20/h6-7,9,11,21H,5,8,10H2,1-4H3.
What are the key properties of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-N-propylpentan-2-amine?
4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-N-propylpentan-2-amine has a molecular weight of 305.36 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 107290258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).