4-chloro-N-(2,4-dimethylcyclohexyl)-2,5-dimethoxyaniline

C16H24ClNO2 — CID 64774100

IUPAC4-chloro-N-(2,4-dimethylcyclohexyl)-2,5-dimethoxyaniline
SMILESCOc1cc(NC2CCC(C)CC2C)c(OC)cc1Cl
InChIInChI=1S/C16H24ClNO2/c1-10-5-6-13(11(2)7-10)18-14-9-15(19-3)12(17)8-16(14)20-4/h8-11,13,18H,5-7H2,1-4H3
InChIKeyGHHOVVODEAODGC-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.59
Rot. Bonds4

About 4-chloro-N-(2,4-dimethylcyclohexyl)-2,5-dimethoxyaniline

4-chloro-N-(2,4-dimethylcyclohexyl)-2,5-dimethoxyaniline (PubChem CID 64774100) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-chloro-N-(2,4-dimethylcyclohexyl)-2,5-dimethoxyaniline.

Molecular Properties

Compound Name4-chloro-N-(2,4-dimethylcyclohexyl)-2,5-dimethoxyaniline
PubChem CID64774100
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name4-chloro-N-(2,4-dimethylcyclohexyl)-2,5-dimethoxyaniline
SMILESCOc1cc(NC2CCC(C)CC2C)c(OC)cc1Cl
InChIInChI=1S/C16H24ClNO2/c1-10-5-6-13(11(2)7-10)18-14-9-15(19-3)12(17)8-16(14)20-4/h8-11,13,18H,5-7H2,1-4H3
InChIKeyGHHOVVODEAODGC-UHFFFAOYSA-N
XLogP4.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2,5-dimethoxy-N-(2-methylcyclohexyl)aniline
CID 43109970
4-chloro-2,5-dimethoxy-N-(3-methylcyclohexyl)aniline
CID 43096450
2-chloro-4,5-dimethoxy-N-(2-methylcyclohexyl)aniline
CID 43712361
N-(2,4-dimethylcyclohexyl)-3-fluoro-4-methoxyaniline
CID 64762784
4-chloro-2-[[(2,4-dimethylcyclohexyl)amino]methyl]-6-methoxyphenol
CID 104663878
3-chloro-1-N-(2,4-dimethylcyclohexyl)benzene-1,2-diamine
CID 113458644
N-(2,5-dimethylcyclohexyl)-2-methoxy-4-methylaniline
CID 64760687
4-chloro-2,5-dimethoxy-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447764
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8787495
2-chloro-N-(2,6-dimethylcyclohexyl)-4,5-dimethoxyaniline
CID 43712363
N-(2,4-dimethylcyclohexyl)-2,5-difluoroaniline
CID 64775137
N-(2,5-dimethylcyclohexyl)-2,4-dimethoxyaniline
CID 64774711

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-dimethylcyclohexyl)-2,5-dimethoxyaniline?
The IUPAC name of 4-chloro-N-(2,4-dimethylcyclohexyl)-2,5-dimethoxyaniline (CID 64774100) is 4-chloro-N-(2,4-dimethylcyclohexyl)-2,5-dimethoxyaniline.
What is the SMILES notation for 4-chloro-N-(2,4-dimethylcyclohexyl)-2,5-dimethoxyaniline?
The canonical SMILES for 4-chloro-N-(2,4-dimethylcyclohexyl)-2,5-dimethoxyaniline is COc1cc(NC2CCC(C)CC2C)c(OC)cc1Cl.
What is the InChIKey of 4-chloro-N-(2,4-dimethylcyclohexyl)-2,5-dimethoxyaniline?
The InChIKey is GHHOVVODEAODGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-10-5-6-13(11(2)7-10)18-14-9-15(19-3)12(17)8-16(14)20-4/h8-11,13,18H,5-7H2,1-4H3.
What are the key properties of 4-chloro-N-(2,4-dimethylcyclohexyl)-2,5-dimethoxyaniline?
4-chloro-N-(2,4-dimethylcyclohexyl)-2,5-dimethoxyaniline has a molecular weight of 297.83 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4-dimethylcyclohexyl)-2,5-dimethoxyaniline is sourced from PubChem (CID 64774100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).