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

C14H17ClF3N — CID 64753624

IUPAC2-chloro-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline
SMILESCc1ccc(NC2CCC(C(F)(F)F)CC2)c(Cl)c1
InChIInChI=1S/C14H17ClF3N/c1-9-2-7-13(12(15)8-9)19-11-5-3-10(4-6-11)14(16,17)18/h2,7-8,10-11,19H,3-6H2,1H3
InChIKeyRYXDMQRABNVLOB-UHFFFAOYSA-N
MW291.74 g/mol
LogP5.18
Rot. Bonds2

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

2-chloro-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline (PubChem CID 64753624) has the molecular formula C14H17ClF3N and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline
PubChem CID64753624
Molecular FormulaC14H17ClF3N
Molecular Weight291.74 g/mol
Exact Mass291.10
IUPAC Name2-chloro-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline
SMILESCc1ccc(NC2CCC(C(F)(F)F)CC2)c(Cl)c1
InChIInChI=1S/C14H17ClF3N/c1-9-2-7-13(12(15)8-9)19-11-5-3-10(4-6-11)14(16,17)18/h2,7-8,10-11,19H,3-6H2,1H3
InChIKeyRYXDMQRABNVLOB-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 2-chloro-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline?
The IUPAC name of 2-chloro-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline (CID 64753624) is 2-chloro-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline.
What is the SMILES notation for 2-chloro-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline?
The canonical SMILES for 2-chloro-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline is Cc1ccc(NC2CCC(C(F)(F)F)CC2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline?
The InChIKey is RYXDMQRABNVLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N/c1-9-2-7-13(12(15)8-9)19-11-5-3-10(4-6-11)14(16,17)18/h2,7-8,10-11,19H,3-6H2,1H3.
What are the key properties of 2-chloro-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline?
2-chloro-4-methyl-N-[4-(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 2-chloro-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]aniline is sourced from PubChem (CID 64753624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).