2-chloro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)aniline

C12H15ClF3N — CID 43093717

IUPAC2-chloro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)aniline
SMILESCC(C)C(C)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H15ClF3N/c1-7(2)8(3)17-11-6-9(12(14,15)16)4-5-10(11)13/h4-8,17H,1-3H3
InChIKeyVFDIURIQCQKJLC-UHFFFAOYSA-N
MW265.71 g/mol
LogP4.82
Rot. Bonds3

About 2-chloro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)aniline

2-chloro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)aniline (PubChem CID 43093717) has the molecular formula C12H15ClF3N and a molecular weight of 265.71 g/mol. Its IUPAC name is 2-chloro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)aniline
PubChem CID43093717
Molecular FormulaC12H15ClF3N
Molecular Weight265.71 g/mol
Exact Mass265.08
IUPAC Name2-chloro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)aniline
SMILESCC(C)C(C)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H15ClF3N/c1-7(2)8(3)17-11-6-9(12(14,15)16)4-5-10(11)13/h4-8,17H,1-3H3
InChIKeyVFDIURIQCQKJLC-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-5-(trifluoromethyl)phenyl]hydrazine
CID 2060249
6-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112867399
2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 24690259
(2R)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 2396545
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine chloride
CID 23004625
2-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]-5-(trifluoromethyl)aniline
CID 43307432
2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)aniline
CID 43093249
2-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-(trifluoromethyl)aniline
CID 63418127
6-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 22541138
N-[2,2,2-trichloro-1-[2-chloro-5-(trifluoromethyl)anilino]ethyl]acetamide
CID 3089981
(1R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 10268969
2-chloro-N-(2,6-dimethylcyclohexyl)-5-(trifluoromethyl)aniline
CID 43102875

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)aniline (CID 43093717) is 2-chloro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)aniline is CC(C)C(C)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)aniline?
The InChIKey is VFDIURIQCQKJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N/c1-7(2)8(3)17-11-6-9(12(14,15)16)4-5-10(11)13/h4-8,17H,1-3H3.
What are the key properties of 2-chloro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)aniline?
2-chloro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)aniline has a molecular weight of 265.71 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 43093717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).