2-chloro-N-(cyclobutylmethyl)-5-(trifluoromethyl)aniline

C12H13ClF3N — CID 65460311

IUPAC2-chloro-N-(cyclobutylmethyl)-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Cl)c(NCC2CCC2)c1
InChIInChI=1S/C12H13ClF3N/c13-10-5-4-9(12(14,15)16)6-11(10)17-7-8-2-1-3-8/h4-6,8,17H,1-3,7H2
InChIKeyULMZPMUEUFKMCC-UHFFFAOYSA-N
MW263.69 g/mol
LogP4.57
Rot. Bonds3

About 2-chloro-N-(cyclobutylmethyl)-5-(trifluoromethyl)aniline

2-chloro-N-(cyclobutylmethyl)-5-(trifluoromethyl)aniline (PubChem CID 65460311) has the molecular formula C12H13ClF3N and a molecular weight of 263.69 g/mol. Its IUPAC name is 2-chloro-N-(cyclobutylmethyl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(cyclobutylmethyl)-5-(trifluoromethyl)aniline
PubChem CID65460311
Molecular FormulaC12H13ClF3N
Molecular Weight263.69 g/mol
Exact Mass263.07
IUPAC Name2-chloro-N-(cyclobutylmethyl)-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Cl)c(NCC2CCC2)c1
InChIInChI=1S/C12H13ClF3N/c13-10-5-4-9(12(14,15)16)6-11(10)17-7-8-2-1-3-8/h4-6,8,17H,1-3,7H2
InChIKeyULMZPMUEUFKMCC-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline
CID 17389755
2-chloro-N-(2,6-dimethylcyclohexyl)-5-(trifluoromethyl)aniline
CID 43102875
2-bromo-N-[(3-chlorocyclohexyl)methyl]-4-(trifluoromethyl)aniline
CID 106125456
2-chloro-N-(cyclobutylmethyl)-4-(trifluoromethyl)benzamide
CID 143467098
4-chloro-N-(cyclohexylmethyl)-3-(trifluoromethyl)aniline
CID 43082566
2-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 79708126
2,4-dichloro-N-(cyclobutylmethyl)aniline
CID 65458024
2-chloro-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)aniline
CID 106633355
2-chloro-N-(cyclopentylmethyl)aniline
CID 61344994
2-chloro-N-[(2,5-difluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 43312527
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine
CID 2060249
2-chloro-N-[(5-methyloxolan-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 82834363

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclobutylmethyl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-(cyclobutylmethyl)-5-(trifluoromethyl)aniline (CID 65460311) is 2-chloro-N-(cyclobutylmethyl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-(cyclobutylmethyl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-(cyclobutylmethyl)-5-(trifluoromethyl)aniline is FC(F)(F)c1ccc(Cl)c(NCC2CCC2)c1.
What is the InChIKey of 2-chloro-N-(cyclobutylmethyl)-5-(trifluoromethyl)aniline?
The InChIKey is ULMZPMUEUFKMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N/c13-10-5-4-9(12(14,15)16)6-11(10)17-7-8-2-1-3-8/h4-6,8,17H,1-3,7H2.
What are the key properties of 2-chloro-N-(cyclobutylmethyl)-5-(trifluoromethyl)aniline?
2-chloro-N-(cyclobutylmethyl)-5-(trifluoromethyl)aniline has a molecular weight of 263.69 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclobutylmethyl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 65460311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).