2-methyl-N-pentan-2-yl-5-(trifluoromethyl)aniline

C13H18F3N — CID 66481332

IUPAC2-methyl-N-pentan-2-yl-5-(trifluoromethyl)aniline
SMILESCCCC(C)Nc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C13H18F3N/c1-4-5-10(3)17-12-8-11(13(14,15)16)7-6-9(12)2/h6-8,10,17H,4-5H2,1-3H3
InChIKeyNFLRTVHOKCAHLS-UHFFFAOYSA-N
MW245.29 g/mol
LogP4.61
Rot. Bonds4

About 2-methyl-N-pentan-2-yl-5-(trifluoromethyl)aniline

2-methyl-N-pentan-2-yl-5-(trifluoromethyl)aniline (PubChem CID 66481332) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-methyl-N-pentan-2-yl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-methyl-N-pentan-2-yl-5-(trifluoromethyl)aniline
PubChem CID66481332
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name2-methyl-N-pentan-2-yl-5-(trifluoromethyl)aniline
SMILESCCCC(C)Nc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C13H18F3N/c1-4-5-10(3)17-12-8-11(13(14,15)16)7-6-9(12)2/h6-8,10,17H,4-5H2,1-3H3
InChIKeyNFLRTVHOKCAHLS-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-octan-2-yl-5-(trifluoromethyl)aniline
CID 66480732
2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline
CID 116534878
2-methyl-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)aniline
CID 66478753
3-[2-methyl-5-(trifluoromethyl)anilino]butanoic acid
CID 66480950
2-(pentan-2-ylamino)-5-(trifluoromethyl)benzoic acid
CID 63510340
2-methyl-N-(5-methylheptan-3-yl)-5-(trifluoromethyl)aniline
CID 66478749
N-but-3-en-2-yl-2-methyl-5-(trifluoromethyl)aniline
CID 107907236
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
(2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
CID 103794824
1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 66479358
(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 106932273
N-butan-2-yl-2-[2-methyl-5-(trifluoromethyl)anilino]acetamide
CID 66476966

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pentan-2-yl-5-(trifluoromethyl)aniline?
The IUPAC name of 2-methyl-N-pentan-2-yl-5-(trifluoromethyl)aniline (CID 66481332) is 2-methyl-N-pentan-2-yl-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-methyl-N-pentan-2-yl-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-methyl-N-pentan-2-yl-5-(trifluoromethyl)aniline is CCCC(C)Nc1cc(C(F)(F)F)ccc1C.
What is the InChIKey of 2-methyl-N-pentan-2-yl-5-(trifluoromethyl)aniline?
The InChIKey is NFLRTVHOKCAHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-4-5-10(3)17-12-8-11(13(14,15)16)7-6-9(12)2/h6-8,10,17H,4-5H2,1-3H3.
What are the key properties of 2-methyl-N-pentan-2-yl-5-(trifluoromethyl)aniline?
2-methyl-N-pentan-2-yl-5-(trifluoromethyl)aniline has a molecular weight of 245.29 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pentan-2-yl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 66481332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).