N-(2-methylpropyl)-4-propan-2-yl-2-(trifluoromethyl)aniline

C14H20F3N — CID 53403796

IUPACN-(2-methylpropyl)-4-propan-2-yl-2-(trifluoromethyl)aniline
SMILESCC(C)CNc1ccc(C(C)C)cc1C(F)(F)F
InChIInChI=1S/C14H20F3N/c1-9(2)8-18-13-6-5-11(10(3)4)7-12(13)14(15,16)17/h5-7,9-10,18H,8H2,1-4H3
InChIKeyDTJLRYKNGADLSD-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.90
Rot. Bonds4

About N-(2-methylpropyl)-4-propan-2-yl-2-(trifluoromethyl)aniline

N-(2-methylpropyl)-4-propan-2-yl-2-(trifluoromethyl)aniline (PubChem CID 53403796) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-propan-2-yl-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-propan-2-yl-2-(trifluoromethyl)aniline
PubChem CID53403796
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN-(2-methylpropyl)-4-propan-2-yl-2-(trifluoromethyl)aniline
SMILESCC(C)CNc1ccc(C(C)C)cc1C(F)(F)F
InChIInChI=1S/C14H20F3N/c1-9(2)8-18-13-6-5-11(10(3)4)7-12(13)14(15,16)17/h5-7,9-10,18H,8H2,1-4H3
InChIKeyDTJLRYKNGADLSD-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclohexylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline
CID 53404787
N-(cycloheptylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline
CID 53404785
(2R)-1-[4-amino-2-(trifluoromethyl)anilino]propan-2-ol
CID 92979789
4-methoxy-N-(3-methoxy-2-methylpropyl)-2-(trifluoromethyl)aniline
CID 116500897
4-chloro-N-(2,2-dimethoxyethyl)-2-(trifluoromethyl)aniline
CID 63686793
N-(2-ethylbutyl)-4-methoxy-2-(trifluoromethyl)aniline
CID 43678119
2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene
CID 156849362
1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 22952870
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropyl)thiourea
CID 19676134
2-(2-methylpropyl)-5-propan-2-yl-1,3-bis(trifluoromethyl)benzene
CID 155459844
ethane;2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene
CID 177155724
2,5-di(propan-2-yl)-1,3-bis(trifluoromethyl)benzene
CID 88933481

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-propan-2-yl-2-(trifluoromethyl)aniline?
The IUPAC name of N-(2-methylpropyl)-4-propan-2-yl-2-(trifluoromethyl)aniline (CID 53403796) is N-(2-methylpropyl)-4-propan-2-yl-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(2-methylpropyl)-4-propan-2-yl-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(2-methylpropyl)-4-propan-2-yl-2-(trifluoromethyl)aniline is CC(C)CNc1ccc(C(C)C)cc1C(F)(F)F.
What is the InChIKey of N-(2-methylpropyl)-4-propan-2-yl-2-(trifluoromethyl)aniline?
The InChIKey is DTJLRYKNGADLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-9(2)8-18-13-6-5-11(10(3)4)7-12(13)14(15,16)17/h5-7,9-10,18H,8H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-4-propan-2-yl-2-(trifluoromethyl)aniline?
N-(2-methylpropyl)-4-propan-2-yl-2-(trifluoromethyl)aniline has a molecular weight of 259.31 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-(2-methylpropyl)-4-propan-2-yl-2-(trifluoromethyl)aniline is sourced from PubChem (CID 53403796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).