3,5-dichloro-4-(4-methylcyclohexyl)oxyaniline

C13H17Cl2NO — CID 113240227

IUPAC3,5-dichloro-4-(4-methylcyclohexyl)oxyaniline
SMILESCC1CCC(Oc2c(Cl)cc(N)cc2Cl)CC1
InChIInChI=1S/C13H17Cl2NO/c1-8-2-4-10(5-3-8)17-13-11(14)6-9(16)7-12(13)15/h6-8,10H,2-5,16H2,1H3
InChIKeyXBEHKYRYARKFDE-UHFFFAOYSA-N
MW274.19 g/mol
LogP4.53
Rot. Bonds2

About 3,5-dichloro-4-(4-methylcyclohexyl)oxyaniline

3,5-dichloro-4-(4-methylcyclohexyl)oxyaniline (PubChem CID 113240227) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 3,5-dichloro-4-(4-methylcyclohexyl)oxyaniline.

Molecular Properties

Compound Name3,5-dichloro-4-(4-methylcyclohexyl)oxyaniline
PubChem CID113240227
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name3,5-dichloro-4-(4-methylcyclohexyl)oxyaniline
SMILESCC1CCC(Oc2c(Cl)cc(N)cc2Cl)CC1
InChIInChI=1S/C13H17Cl2NO/c1-8-2-4-10(5-3-8)17-13-11(14)6-9(16)7-12(13)15/h6-8,10H,2-5,16H2,1H3
InChIKeyXBEHKYRYARKFDE-UHFFFAOYSA-N
XLogP4.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(4-methylcyclohexyl)oxyaniline
CID 43187378
[3,5-dichloro-2-(4-methylcyclohexyl)oxyphenyl]methanol
CID 64749120
ethyl 5-amino-3-chloro-2-cycloheptyloxybenzoate
CID 107197699
5-chloro-2-(4-methylcyclohexyl)oxyaniline
CID 43094022
1-chloro-2-fluoro-4-(4-methylcyclohexyl)oxybenzene
CID 82727193
4-methyl-3-(4-methylcyclohexyl)oxyaniline
CID 64749048
2-[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 64776281
3-bromo-2-(4-methylcyclohexyl)oxyaniline
CID 81499795
1-bromo-3-chloro-2-cyclopropyloxy-5-methylbenzene
CID 84710578
ethyl 5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzoate
CID 107193471
2-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 79887676
5-(bromomethyl)-1,3-dimethyl-2-(4-methylcyclohexyl)oxybenzene
CID 64750283

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(4-methylcyclohexyl)oxyaniline?
The IUPAC name of 3,5-dichloro-4-(4-methylcyclohexyl)oxyaniline (CID 113240227) is 3,5-dichloro-4-(4-methylcyclohexyl)oxyaniline.
What is the SMILES notation for 3,5-dichloro-4-(4-methylcyclohexyl)oxyaniline?
The canonical SMILES for 3,5-dichloro-4-(4-methylcyclohexyl)oxyaniline is CC1CCC(Oc2c(Cl)cc(N)cc2Cl)CC1.
What is the InChIKey of 3,5-dichloro-4-(4-methylcyclohexyl)oxyaniline?
The InChIKey is XBEHKYRYARKFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-8-2-4-10(5-3-8)17-13-11(14)6-9(16)7-12(13)15/h6-8,10H,2-5,16H2,1H3.
What are the key properties of 3,5-dichloro-4-(4-methylcyclohexyl)oxyaniline?
3,5-dichloro-4-(4-methylcyclohexyl)oxyaniline has a molecular weight of 274.19 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(4-methylcyclohexyl)oxyaniline is sourced from PubChem (CID 113240227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).