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

C15H22ClNO2 — CID 43712361

IUPAC2-chloro-4,5-dimethoxy-N-(2-methylcyclohexyl)aniline
SMILESCOc1cc(Cl)c(NC2CCCCC2C)cc1OC
InChIInChI=1S/C15H22ClNO2/c1-10-6-4-5-7-12(10)17-13-9-15(19-3)14(18-2)8-11(13)16/h8-10,12,17H,4-7H2,1-3H3
InChIKeyZOKSPQBDZSDEDP-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.35
Rot. Bonds4

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

2-chloro-4,5-dimethoxy-N-(2-methylcyclohexyl)aniline (PubChem CID 43712361) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-chloro-4,5-dimethoxy-N-(2-methylcyclohexyl)aniline.

Molecular Properties

Compound Name2-chloro-4,5-dimethoxy-N-(2-methylcyclohexyl)aniline
PubChem CID43712361
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-chloro-4,5-dimethoxy-N-(2-methylcyclohexyl)aniline
SMILESCOc1cc(Cl)c(NC2CCCCC2C)cc1OC
InChIInChI=1S/C15H22ClNO2/c1-10-6-4-5-7-12(10)17-13-9-15(19-3)14(18-2)8-11(13)16/h8-10,12,17H,4-7H2,1-3H3
InChIKeyZOKSPQBDZSDEDP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2,5-dimethoxy-N-(2-methylcyclohexyl)aniline
CID 43109970
2-chloro-N-(2,6-dimethylcyclohexyl)-4,5-dimethoxyaniline
CID 43712363
N-(2-chloro-4,5-dimethoxyphenyl)-2-methylthian-3-amine
CID 79957831
4,5-dimethoxy-2-methyl-N-(2-methylcyclopentyl)aniline
CID 65044277
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8787495
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylcyclohexyl)acetamide
CID 46797821
4-chloro-N-(2,4-dimethylcyclohexyl)-2,5-dimethoxyaniline
CID 64774100
2-chloro-5-fluoro-N-(2-methylcyclohexyl)aniline
CID 107527174
2-methoxy-N-[(1S,2R)-2-methylcyclopentyl]aniline
CID 97030521
1-(4,5-dimethoxy-2-methylphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8660196
4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline
CID 43106401
3-chloro-4-[(2-methylcyclohexyl)amino]benzenecarbothioamide
CID 55181997

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-dimethoxy-N-(2-methylcyclohexyl)aniline?
The IUPAC name of 2-chloro-4,5-dimethoxy-N-(2-methylcyclohexyl)aniline (CID 43712361) is 2-chloro-4,5-dimethoxy-N-(2-methylcyclohexyl)aniline.
What is the SMILES notation for 2-chloro-4,5-dimethoxy-N-(2-methylcyclohexyl)aniline?
The canonical SMILES for 2-chloro-4,5-dimethoxy-N-(2-methylcyclohexyl)aniline is COc1cc(Cl)c(NC2CCCCC2C)cc1OC.
What is the InChIKey of 2-chloro-4,5-dimethoxy-N-(2-methylcyclohexyl)aniline?
The InChIKey is ZOKSPQBDZSDEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-10-6-4-5-7-12(10)17-13-9-15(19-3)14(18-2)8-11(13)16/h8-10,12,17H,4-7H2,1-3H3.
What are the key properties of 2-chloro-4,5-dimethoxy-N-(2-methylcyclohexyl)aniline?
2-chloro-4,5-dimethoxy-N-(2-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 2-chloro-4,5-dimethoxy-N-(2-methylcyclohexyl)aniline is sourced from PubChem (CID 43712361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).