4-chloro-2,5-dimethoxy-N-(3-methylcyclohexyl)aniline

C15H22ClNO2 — CID 43096450

IUPAC4-chloro-2,5-dimethoxy-N-(3-methylcyclohexyl)aniline
SMILESCOc1cc(NC2CCCC(C)C2)c(OC)cc1Cl
InChIInChI=1S/C15H22ClNO2/c1-10-5-4-6-11(7-10)17-13-9-14(18-2)12(16)8-15(13)19-3/h8-11,17H,4-7H2,1-3H3
InChIKeyPIURINNGYPGCFE-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.35
Rot. Bonds4

About 4-chloro-2,5-dimethoxy-N-(3-methylcyclohexyl)aniline

4-chloro-2,5-dimethoxy-N-(3-methylcyclohexyl)aniline (PubChem CID 43096450) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-chloro-2,5-dimethoxy-N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name4-chloro-2,5-dimethoxy-N-(3-methylcyclohexyl)aniline
PubChem CID43096450
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name4-chloro-2,5-dimethoxy-N-(3-methylcyclohexyl)aniline
SMILESCOc1cc(NC2CCCC(C)C2)c(OC)cc1Cl
InChIInChI=1S/C15H22ClNO2/c1-10-5-4-6-11(7-10)17-13-9-14(18-2)12(16)8-15(13)19-3/h8-11,17H,4-7H2,1-3H3
InChIKeyPIURINNGYPGCFE-UHFFFAOYSA-N
XLogP4.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2,5-dimethoxy-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447764
4,5-dimethoxy-2-methyl-N-(3-methylcyclohexyl)aniline
CID 43716735
2-chloro-5-methoxy-N-(3-methylcyclohexyl)aniline
CID 55193326
2-methoxy-N-(3-methylcyclohexyl)-5-phenylaniline
CID 2847498
4-chloro-N-(2,4-dimethylcyclohexyl)-2,5-dimethoxyaniline
CID 64774100
4-chloro-2,5-dimethoxy-N-(2-methylcyclohexyl)aniline
CID 43109970
5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclohexyl)aniline
CID 43686520
4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline
CID 30050493
2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline
CID 107527568
2-chloro-4-iodo-N-(3-methylcyclohexyl)aniline
CID 43733640
4-chloro-N-(3-ethoxycyclobutyl)-2,5-dimethoxyaniline
CID 112573941
5-chloro-N-(3-methylcyclohexyl)-2-propoxyaniline
CID 63452896

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethoxy-N-(3-methylcyclohexyl)aniline?
The IUPAC name of 4-chloro-2,5-dimethoxy-N-(3-methylcyclohexyl)aniline (CID 43096450) is 4-chloro-2,5-dimethoxy-N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 4-chloro-2,5-dimethoxy-N-(3-methylcyclohexyl)aniline?
The canonical SMILES for 4-chloro-2,5-dimethoxy-N-(3-methylcyclohexyl)aniline is COc1cc(NC2CCCC(C)C2)c(OC)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethoxy-N-(3-methylcyclohexyl)aniline?
The InChIKey is PIURINNGYPGCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-10-5-4-6-11(7-10)17-13-9-14(18-2)12(16)8-15(13)19-3/h8-11,17H,4-7H2,1-3H3.
What are the key properties of 4-chloro-2,5-dimethoxy-N-(3-methylcyclohexyl)aniline?
4-chloro-2,5-dimethoxy-N-(3-methylcyclohexyl)aniline has a molecular weight of 283.80 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethoxy-N-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 43096450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).