N-(4-cyclohexylphenyl)-2,4,6-trimethylaniline

C21H27N — CID 142357623

IUPACN-(4-cyclohexylphenyl)-2,4,6-trimethylaniline
SMILESCc1cc(C)c(Nc2ccc(C3CCCCC3)cc2)c(C)c1
InChIInChI=1S/C21H27N/c1-15-13-16(2)21(17(3)14-15)22-20-11-9-19(10-12-20)18-7-5-4-6-8-18/h9-14,18,22H,4-8H2,1-3H3
InChIKeyQSWTVDVCOSAFKH-UHFFFAOYSA-N
MW293.45 g/mol
LogP6.40
Rot. Bonds3

About N-(4-cyclohexylphenyl)-2,4,6-trimethylaniline

N-(4-cyclohexylphenyl)-2,4,6-trimethylaniline (PubChem CID 142357623) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-2,4,6-trimethylaniline
PubChem CID142357623
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC NameN-(4-cyclohexylphenyl)-2,4,6-trimethylaniline
SMILESCc1cc(C)c(Nc2ccc(C3CCCCC3)cc2)c(C)c1
InChIInChI=1S/C21H27N/c1-15-13-16(2)21(17(3)14-15)22-20-11-9-19(10-12-20)18-7-5-4-6-8-18/h9-14,18,22H,4-8H2,1-3H3
InChIKeyQSWTVDVCOSAFKH-UHFFFAOYSA-N
XLogP6.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4,6-trimethylphenyl)cycloheptanamine
CID 63448201
4-cyclohexyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 43021818
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
N-[4-(4-cyclohexylphenyl)phenyl]-4-phenylaniline
CID 171439106
1-cyclohexyl-4-methylbenzene;methoxymethane
CID 143168317
N-(4-cyclohexylphenyl)-3-fluoroaniline
CID 166048926
(2,4,6-trimethylphenyl)cyclododecane
CID 123823481
1-cyclohexyl-4-methylbenzene;toluene
CID 143243711
4-(4-cyclohexylphenyl)-2-methylaniline
CID 63424369
4-cyclohexyl-2-methylphenol;2,4-dimethylphenol
CID 144772724
4-cyclohexyl-N-[4-[1-[4-(4-cyclohexylanilino)phenyl]cyclohexyl]phenyl]aniline
CID 153363759
N-chloro-4-cyclopentylaniline
CID 156634921

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-2,4,6-trimethylaniline?
The IUPAC name of N-(4-cyclohexylphenyl)-2,4,6-trimethylaniline (CID 142357623) is N-(4-cyclohexylphenyl)-2,4,6-trimethylaniline.
What is the SMILES notation for N-(4-cyclohexylphenyl)-2,4,6-trimethylaniline?
The canonical SMILES for N-(4-cyclohexylphenyl)-2,4,6-trimethylaniline is Cc1cc(C)c(Nc2ccc(C3CCCCC3)cc2)c(C)c1.
What is the InChIKey of N-(4-cyclohexylphenyl)-2,4,6-trimethylaniline?
The InChIKey is QSWTVDVCOSAFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-15-13-16(2)21(17(3)14-15)22-20-11-9-19(10-12-20)18-7-5-4-6-8-18/h9-14,18,22H,4-8H2,1-3H3.
What are the key properties of N-(4-cyclohexylphenyl)-2,4,6-trimethylaniline?
N-(4-cyclohexylphenyl)-2,4,6-trimethylaniline has a molecular weight of 293.45 g/mol, XLogP of 6.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-2,4,6-trimethylaniline is sourced from PubChem (CID 142357623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).