5-chloro-2-(4-methylcyclohexyl)oxyaniline

C13H18ClNO — CID 43094022

IUPAC5-chloro-2-(4-methylcyclohexyl)oxyaniline
SMILESCC1CCC(Oc2ccc(Cl)cc2N)CC1
InChIInChI=1S/C13H18ClNO/c1-9-2-5-11(6-3-9)16-13-7-4-10(14)8-12(13)15/h4,7-9,11H,2-3,5-6,15H2,1H3
InChIKeyAGJDCTSYPKNMCN-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.88
Rot. Bonds2

About 5-chloro-2-(4-methylcyclohexyl)oxyaniline

5-chloro-2-(4-methylcyclohexyl)oxyaniline (PubChem CID 43094022) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 5-chloro-2-(4-methylcyclohexyl)oxyaniline.

Molecular Properties

Compound Name5-chloro-2-(4-methylcyclohexyl)oxyaniline
PubChem CID43094022
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name5-chloro-2-(4-methylcyclohexyl)oxyaniline
SMILESCC1CCC(Oc2ccc(Cl)cc2N)CC1
InChIInChI=1S/C13H18ClNO/c1-9-2-5-11(6-3-9)16-13-7-4-10(14)8-12(13)15/h4,7-9,11H,2-3,5-6,15H2,1H3
InChIKeyAGJDCTSYPKNMCN-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.88
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

(1S)-1-[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 78999288
4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene
CID 64748332
5-chloro-2-(4-methylcyclohexyl)oxybenzoic acid
CID 55138471
5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 62494922
5-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 43109138
5-chloro-2-(oxan-3-yloxy)aniline
CID 107134074
N-[[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64748066
3-amino-N,N-dimethyl-4-(4-methylcyclohexyl)oxybenzenesulfonamide
CID 43341136
2,5-difluoro-4-(4-methylcyclohexyl)oxyaniline
CID 64750398
4-methyl-2-(4-methylcyclohexyl)oxyaniline
CID 64748056
4-methyl-3-(4-methylcyclohexyl)oxyaniline
CID 64749048
(4-methylcyclohexyl) 2-amino-5-chlorobenzoate
CID 63446664

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-methylcyclohexyl)oxyaniline?
The IUPAC name of 5-chloro-2-(4-methylcyclohexyl)oxyaniline (CID 43094022) is 5-chloro-2-(4-methylcyclohexyl)oxyaniline.
What is the SMILES notation for 5-chloro-2-(4-methylcyclohexyl)oxyaniline?
The canonical SMILES for 5-chloro-2-(4-methylcyclohexyl)oxyaniline is CC1CCC(Oc2ccc(Cl)cc2N)CC1.
What is the InChIKey of 5-chloro-2-(4-methylcyclohexyl)oxyaniline?
The InChIKey is AGJDCTSYPKNMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-2-5-11(6-3-9)16-13-7-4-10(14)8-12(13)15/h4,7-9,11H,2-3,5-6,15H2,1H3.
What are the key properties of 5-chloro-2-(4-methylcyclohexyl)oxyaniline?
5-chloro-2-(4-methylcyclohexyl)oxyaniline has a molecular weight of 239.75 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-methylcyclohexyl)oxyaniline is sourced from PubChem (CID 43094022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).