4-chloro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline

C14H17ClF3N — CID 64758056

IUPAC4-chloro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
SMILESCc1cc(Cl)ccc1NC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H17ClF3N/c1-9-8-10(15)6-7-12(9)19-13-5-3-2-4-11(13)14(16,17)18/h6-8,11,13,19H,2-5H2,1H3
InChIKeyUVYWPGLKINTYMN-UHFFFAOYSA-N
MW291.74 g/mol
LogP5.18
Rot. Bonds2

About 4-chloro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline

4-chloro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline (PubChem CID 64758056) has the molecular formula C14H17ClF3N and a molecular weight of 291.74 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline.

Molecular Properties

Compound Name4-chloro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
PubChem CID64758056
Molecular FormulaC14H17ClF3N
Molecular Weight291.74 g/mol
Exact Mass291.10
IUPAC Name4-chloro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
SMILESCc1cc(Cl)ccc1NC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H17ClF3N/c1-9-8-10(15)6-7-12(9)19-13-5-3-2-4-11(13)14(16,17)18/h6-8,11,13,19H,2-5H2,1H3
InChIKeyUVYWPGLKINTYMN-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.74
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The IUPAC name of 4-chloro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline (CID 64758056) is 4-chloro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline.
What is the SMILES notation for 4-chloro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The canonical SMILES for 4-chloro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline is Cc1cc(Cl)ccc1NC1CCCCC1C(F)(F)F.
What is the InChIKey of 4-chloro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline?
The InChIKey is UVYWPGLKINTYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N/c1-9-8-10(15)6-7-12(9)19-13-5-3-2-4-11(13)14(16,17)18/h6-8,11,13,19H,2-5H2,1H3.
What are the key properties of 4-chloro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline?
4-chloro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline has a molecular weight of 291.74 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline is sourced from PubChem (CID 64758056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).