4-chloro-N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)aniline

C13H15ClF3N — CID 43363314

IUPAC4-chloro-N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)aniline
SMILESCC(Nc1ccc(Cl)c(C(F)(F)F)c1)C1(C)CC1
InChIInChI=1S/C13H15ClF3N/c1-8(12(2)5-6-12)18-9-3-4-11(14)10(7-9)13(15,16)17/h3-4,7-8,18H,5-6H2,1-2H3
InChIKeyALIWOKYDYWNOFZ-UHFFFAOYSA-N
MW277.72 g/mol
LogP4.96
Rot. Bonds3

About 4-chloro-N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)aniline

4-chloro-N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)aniline (PubChem CID 43363314) has the molecular formula C13H15ClF3N and a molecular weight of 277.72 g/mol. Its IUPAC name is 4-chloro-N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)aniline
PubChem CID43363314
Molecular FormulaC13H15ClF3N
Molecular Weight277.72 g/mol
Exact Mass277.08
IUPAC Name4-chloro-N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)aniline
SMILESCC(Nc1ccc(Cl)c(C(F)(F)F)c1)C1(C)CC1
InChIInChI=1S/C13H15ClF3N/c1-8(12(2)5-6-12)18-9-3-4-11(14)10(7-9)13(15,16)17/h3-4,7-8,18H,5-6H2,1-2H3
InChIKeyALIWOKYDYWNOFZ-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline
CID 21043795
2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide
CID 43082548
N-[1-(1-methylcyclopropyl)ethyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82811659
4-[1-[4-chloro-3-(trifluoromethyl)anilino]ethyl]phenol
CID 43245794
4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63423296
4-chloro-3-(trifluoromethyl)-N-(2,4,4-trimethylcyclohexyl)aniline
CID 81303206
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 82134049
4-chloro-N-(4-methylpentyl)-3-(trifluoromethyl)aniline
CID 83155392
N-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride
CID 23155082
N-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)anilino]propanamide
CID 43243123
3-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43363069
N-[4-chloro-3-(trifluoromethyl)phenyl]-5,5-dimethylthian-3-amine
CID 79955067

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)aniline (CID 43363314) is 4-chloro-N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)aniline is CC(Nc1ccc(Cl)c(C(F)(F)F)c1)C1(C)CC1.
What is the InChIKey of 4-chloro-N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)aniline?
The InChIKey is ALIWOKYDYWNOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3N/c1-8(12(2)5-6-12)18-9-3-4-11(14)10(7-9)13(15,16)17/h3-4,7-8,18H,5-6H2,1-2H3.
What are the key properties of 4-chloro-N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)aniline?
4-chloro-N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)aniline has a molecular weight of 277.72 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 43363314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).