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

C15H22ClNO2 — CID 43109970

IUPAC4-chloro-2,5-dimethoxy-N-(2-methylcyclohexyl)aniline
SMILESCOc1cc(NC2CCCCC2C)c(OC)cc1Cl
InChIInChI=1S/C15H22ClNO2/c1-10-6-4-5-7-12(10)17-13-9-14(18-2)11(16)8-15(13)19-3/h8-10,12,17H,4-7H2,1-3H3
InChIKeyQSGFPYUORLKHBW-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.35
Rot. Bonds4

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

4-chloro-2,5-dimethoxy-N-(2-methylcyclohexyl)aniline (PubChem CID 43109970) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-chloro-2,5-dimethoxy-N-(2-methylcyclohexyl)aniline.

Molecular Properties

Compound Name4-chloro-2,5-dimethoxy-N-(2-methylcyclohexyl)aniline
PubChem CID43109970
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name4-chloro-2,5-dimethoxy-N-(2-methylcyclohexyl)aniline
SMILESCOc1cc(NC2CCCCC2C)c(OC)cc1Cl
InChIInChI=1S/C15H22ClNO2/c1-10-6-4-5-7-12(10)17-13-9-14(18-2)11(16)8-15(13)19-3/h8-10,12,17H,4-7H2,1-3H3
InChIKeyQSGFPYUORLKHBW-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

2-chloro-4,5-dimethoxy-N-(2-methylcyclohexyl)aniline
CID 43712361
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8787495
4-chloro-N-(2,4-dimethylcyclohexyl)-2,5-dimethoxyaniline
CID 64774100
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylcyclohexyl)acetamide
CID 46797821
4,5-dimethoxy-2-methyl-N-(2-methylcyclopentyl)aniline
CID 65044277
2-chloro-N-(2,6-dimethylcyclohexyl)-4,5-dimethoxyaniline
CID 43712363
4-chloro-2,5-dimethoxy-N-(3-methylcyclohexyl)aniline
CID 43096450
N-(2-chloro-4,5-dimethoxyphenyl)-2-methylthian-3-amine
CID 79957831
2-methoxy-N-[(1S,2R)-2-methylcyclopentyl]aniline
CID 97030521
4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline
CID 43106401
2-(5-chloro-2,4-dimethoxyanilino)cyclopentane-1-carbonitrile
CID 62741106
2-chloro-5-fluoro-N-(2-methylcyclohexyl)aniline
CID 107527174

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethoxy-N-(2-methylcyclohexyl)aniline?
The IUPAC name of 4-chloro-2,5-dimethoxy-N-(2-methylcyclohexyl)aniline (CID 43109970) is 4-chloro-2,5-dimethoxy-N-(2-methylcyclohexyl)aniline.
What is the SMILES notation for 4-chloro-2,5-dimethoxy-N-(2-methylcyclohexyl)aniline?
The canonical SMILES for 4-chloro-2,5-dimethoxy-N-(2-methylcyclohexyl)aniline is COc1cc(NC2CCCCC2C)c(OC)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethoxy-N-(2-methylcyclohexyl)aniline?
The InChIKey is QSGFPYUORLKHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-10-6-4-5-7-12(10)17-13-9-14(18-2)11(16)8-15(13)19-3/h8-10,12,17H,4-7H2,1-3H3.
What are the key properties of 4-chloro-2,5-dimethoxy-N-(2-methylcyclohexyl)aniline?
4-chloro-2,5-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 4-chloro-2,5-dimethoxy-N-(2-methylcyclohexyl)aniline is sourced from PubChem (CID 43109970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).