N-tert-butyl-3-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine

C16H23F4N — CID 107290764

IUPACN-tert-butyl-3-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
SMILESCC(C)(C)NCCC(C)(C)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C16H23F4N/c1-14(2,3)21-9-8-15(4,5)11-6-7-12(13(17)10-11)16(18,19)20/h6-7,10,21H,8-9H2,1-5H3
InChIKeyQAOQPQSTVWORPA-UHFFFAOYSA-N
MW305.36 g/mol
LogP4.90
Rot. Bonds4

About N-tert-butyl-3-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine

N-tert-butyl-3-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine (PubChem CID 107290764) has the molecular formula C16H23F4N and a molecular weight of 305.36 g/mol. Its IUPAC name is N-tert-butyl-3-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
PubChem CID107290764
Molecular FormulaC16H23F4N
Molecular Weight305.36 g/mol
Exact Mass305.18
IUPAC NameN-tert-butyl-3-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
SMILESCC(C)(C)NCCC(C)(C)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C16H23F4N/c1-14(2,3)21-9-8-15(4,5)11-6-7-12(13(17)10-11)16(18,19)20/h6-7,10,21H,8-9H2,1-5H3
InChIKeyQAOQPQSTVWORPA-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

N-tert-butyl-3-methyl-3-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 81022570
N-tert-butyl-3-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine
CID 81022530
4-(tert-butylamino)-2-(2,4-difluorophenyl)butan-2-ol
CID 66001269
4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-yloxy]aniline
CID 118455886
3-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830965
1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol
CID 107287051
3-(4-chloro-2-fluorophenyl)-N,3-dimethylbutan-1-amine
CID 81023609
3-(4-bromo-3-chloro-2-fluorophenyl)-N-tert-butyl-3-methylbutan-1-amine
CID 106763830
2-[2-fluoro-4-(trifluoromethyl)phenyl]butane-2-thiol
CID 123422475
N-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-amine
CID 79830139
ethyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropanoate
CID 107289959
N-tert-butyl-3-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine
CID 81021954

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-3-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine (CID 107290764) is N-tert-butyl-3-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-3-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-3-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine is CC(C)(C)NCCC(C)(C)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of N-tert-butyl-3-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine?
The InChIKey is QAOQPQSTVWORPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F4N/c1-14(2,3)21-9-8-15(4,5)11-6-7-12(13(17)10-11)16(18,19)20/h6-7,10,21H,8-9H2,1-5H3.
What are the key properties of N-tert-butyl-3-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine?
N-tert-butyl-3-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine has a molecular weight of 305.36 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine is sourced from PubChem (CID 107290764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).