2-methyl-N-(5-methylheptan-3-yl)-5-(trifluoromethyl)aniline

C16H24F3N — CID 66478749

IUPAC2-methyl-N-(5-methylheptan-3-yl)-5-(trifluoromethyl)aniline
SMILESCCC(C)CC(CC)Nc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C16H24F3N/c1-5-11(3)9-14(6-2)20-15-10-13(16(17,18)19)8-7-12(15)4/h7-8,10-11,14,20H,5-6,9H2,1-4H3
InChIKeyMCEQOIDGRKDRIU-UHFFFAOYSA-N
MW287.37 g/mol
LogP5.64
Rot. Bonds6

About 2-methyl-N-(5-methylheptan-3-yl)-5-(trifluoromethyl)aniline

2-methyl-N-(5-methylheptan-3-yl)-5-(trifluoromethyl)aniline (PubChem CID 66478749) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-methyl-N-(5-methylheptan-3-yl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-methyl-N-(5-methylheptan-3-yl)-5-(trifluoromethyl)aniline
PubChem CID66478749
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name2-methyl-N-(5-methylheptan-3-yl)-5-(trifluoromethyl)aniline
SMILESCCC(C)CC(CC)Nc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C16H24F3N/c1-5-11(3)9-14(6-2)20-15-10-13(16(17,18)19)8-7-12(15)4/h7-8,10-11,14,20H,5-6,9H2,1-4H3
InChIKeyMCEQOIDGRKDRIU-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.37
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)aniline
CID 66478753
2-methyl-N-pentan-2-yl-5-(trifluoromethyl)aniline
CID 66481332
N,4-dimethyl-3-(5-methylheptan-3-ylamino)benzenesulfonamide
CID 43752075
2-methyl-N-octan-2-yl-5-(trifluoromethyl)aniline
CID 66480732
N-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63462426
N-but-3-en-2-yl-2-methyl-5-(trifluoromethyl)aniline
CID 107907236
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline
CID 116534878
3-[2-methyl-5-(trifluoromethyl)anilino]butanoic acid
CID 66480950
1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 66479358
(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 106932273
N'-(1-hydroxybutan-2-yl)-N-[2-methyl-5-(trifluoromethyl)phenyl]oxamide
CID 111566618

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methylheptan-3-yl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-methyl-N-(5-methylheptan-3-yl)-5-(trifluoromethyl)aniline (CID 66478749) is 2-methyl-N-(5-methylheptan-3-yl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-methyl-N-(5-methylheptan-3-yl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-methyl-N-(5-methylheptan-3-yl)-5-(trifluoromethyl)aniline is CCC(C)CC(CC)Nc1cc(C(F)(F)F)ccc1C.
What is the InChIKey of 2-methyl-N-(5-methylheptan-3-yl)-5-(trifluoromethyl)aniline?
The InChIKey is MCEQOIDGRKDRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-5-11(3)9-14(6-2)20-15-10-13(16(17,18)19)8-7-12(15)4/h7-8,10-11,14,20H,5-6,9H2,1-4H3.
What are the key properties of 2-methyl-N-(5-methylheptan-3-yl)-5-(trifluoromethyl)aniline?
2-methyl-N-(5-methylheptan-3-yl)-5-(trifluoromethyl)aniline has a molecular weight of 287.37 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methylheptan-3-yl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 66478749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).