2-chloro-N-(2-methylbutyl)-4-(trifluoromethyl)aniline

C12H15ClF3N — CID 43714527

IUPAC2-chloro-N-(2-methylbutyl)-4-(trifluoromethyl)aniline
SMILESCCC(C)CNc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H15ClF3N/c1-3-8(2)7-17-11-5-4-9(6-10(11)13)12(14,15)16/h4-6,8,17H,3,7H2,1-2H3
InChIKeyHUKLXJUYUDIEQD-UHFFFAOYSA-N
MW265.71 g/mol
LogP4.82
Rot. Bonds4

About 2-chloro-N-(2-methylbutyl)-4-(trifluoromethyl)aniline

2-chloro-N-(2-methylbutyl)-4-(trifluoromethyl)aniline (PubChem CID 43714527) has the molecular formula C12H15ClF3N and a molecular weight of 265.71 g/mol. Its IUPAC name is 2-chloro-N-(2-methylbutyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(2-methylbutyl)-4-(trifluoromethyl)aniline
PubChem CID43714527
Molecular FormulaC12H15ClF3N
Molecular Weight265.71 g/mol
Exact Mass265.08
IUPAC Name2-chloro-N-(2-methylbutyl)-4-(trifluoromethyl)aniline
SMILESCCC(C)CNc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H15ClF3N/c1-3-8(2)7-17-11-5-4-9(6-10(11)13)12(14,15)16/h4-6,8,17H,3,7H2,1-2H3
InChIKeyHUKLXJUYUDIEQD-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-(2-propan-2-ylsulfanylethyl)-4-(trifluoromethyl)aniline
CID 114268596
3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]pentan-3-ol
CID 114493143
N'-tert-butyl-N-[2-chloro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107445058
2-chloro-N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)aniline
CID 106452025
2-chloro-N-[(2-ethylphenyl)methyl]-4-(trifluoromethyl)aniline
CID 63442300
2-chloro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(trifluoromethyl)aniline
CID 112589100
2-[2-chloro-4-(trifluoromethyl)anilino]-1-thiophen-2-ylethanol
CID 63667106
3-[2-chloro-4-(trifluoromethyl)anilino]-2,2-dimethylpropanoic acid
CID 79623354
4-chloro-2-methyl-N-(2-methylbutyl)aniline
CID 43093539
N-(2-methylbutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 62693316
N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine
CID 54381375
N-(2-methylbutyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 63547160

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylbutyl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-(2-methylbutyl)-4-(trifluoromethyl)aniline (CID 43714527) is 2-chloro-N-(2-methylbutyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-(2-methylbutyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-(2-methylbutyl)-4-(trifluoromethyl)aniline is CCC(C)CNc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-N-(2-methylbutyl)-4-(trifluoromethyl)aniline?
The InChIKey is HUKLXJUYUDIEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N/c1-3-8(2)7-17-11-5-4-9(6-10(11)13)12(14,15)16/h4-6,8,17H,3,7H2,1-2H3.
What are the key properties of 2-chloro-N-(2-methylbutyl)-4-(trifluoromethyl)aniline?
2-chloro-N-(2-methylbutyl)-4-(trifluoromethyl)aniline has a molecular weight of 265.71 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylbutyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 43714527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).