3-chloro-4-methyl-N-(3,3,3-trifluoropropyl)aniline

C10H11ClF3N — CID 64553780

IUPAC3-chloro-4-methyl-N-(3,3,3-trifluoropropyl)aniline
SMILESCc1ccc(NCCC(F)(F)F)cc1Cl
InChIInChI=1S/C10H11ClF3N/c1-7-2-3-8(6-9(7)11)15-5-4-10(12,13)14/h2-3,6,15H,4-5H2,1H3
InChIKeyLNYKPYOUMDRBHZ-UHFFFAOYSA-N
MW237.65 g/mol
LogP4.01
Rot. Bonds3

About 3-chloro-4-methyl-N-(3,3,3-trifluoropropyl)aniline

3-chloro-4-methyl-N-(3,3,3-trifluoropropyl)aniline (PubChem CID 64553780) has the molecular formula C10H11ClF3N and a molecular weight of 237.65 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(3,3,3-trifluoropropyl)aniline.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(3,3,3-trifluoropropyl)aniline
PubChem CID64553780
Molecular FormulaC10H11ClF3N
Molecular Weight237.65 g/mol
Exact Mass237.05
IUPAC Name3-chloro-4-methyl-N-(3,3,3-trifluoropropyl)aniline
SMILESCc1ccc(NCCC(F)(F)F)cc1Cl
InChIInChI=1S/C10H11ClF3N/c1-7-2-3-8(6-9(7)11)15-5-4-10(12,13)14/h2-3,6,15H,4-5H2,1H3
InChIKeyLNYKPYOUMDRBHZ-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-(3,3,3-trifluoropropylamino)benzoic acid
CID 81281565
2-chloro-4-(3,3,3-trifluoropropylamino)benzenecarbothioamide
CID 63226817
3-chloro-N-dodecyl-4-methylaniline
CID 63487569
N'-(3-chloro-4-methylphenyl)butane-1,4-diamine
CID 94256638
3-chloro-N-(2-ethylsulfanylethyl)-4-methylaniline
CID 115881998
2-(3-chloro-4-methylanilino)ethanesulfonamide
CID 114384702
N-benzyl-3-chloro-4-methylaniline
CID 18778604
3-chloro-N-[(3,4-difluorophenyl)methyl]-4-methylaniline
CID 29045125
N-(3-chloro-4-methylphenyl)-N'-(2-fluorophenyl)ethane-1,2-diamine
CID 54809574
3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline
CID 54807377
N-(3,3-dimethylbutyl)-4-methyl-3-(trifluoromethyl)aniline
CID 63455402
3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841284

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(3,3,3-trifluoropropyl)aniline?
The IUPAC name of 3-chloro-4-methyl-N-(3,3,3-trifluoropropyl)aniline (CID 64553780) is 3-chloro-4-methyl-N-(3,3,3-trifluoropropyl)aniline.
What is the SMILES notation for 3-chloro-4-methyl-N-(3,3,3-trifluoropropyl)aniline?
The canonical SMILES for 3-chloro-4-methyl-N-(3,3,3-trifluoropropyl)aniline is Cc1ccc(NCCC(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(3,3,3-trifluoropropyl)aniline?
The InChIKey is LNYKPYOUMDRBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N/c1-7-2-3-8(6-9(7)11)15-5-4-10(12,13)14/h2-3,6,15H,4-5H2,1H3.
What are the key properties of 3-chloro-4-methyl-N-(3,3,3-trifluoropropyl)aniline?
3-chloro-4-methyl-N-(3,3,3-trifluoropropyl)aniline has a molecular weight of 237.65 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(3,3,3-trifluoropropyl)aniline is sourced from PubChem (CID 64553780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).