4-[(2,3-dichlorophenyl)methoxy]cyclohexan-1-amine

C13H17Cl2NO — CID 107306212

IUPAC4-[(2,3-dichlorophenyl)methoxy]cyclohexan-1-amine
SMILESNC1CCC(OCc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C13H17Cl2NO/c14-12-3-1-2-9(13(12)15)8-17-11-6-4-10(16)5-7-11/h1-3,10-11H,4-8,16H2
InChIKeyOXISLVDSYZCEMA-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.78
Rot. Bonds3

About 4-[(2,3-dichlorophenyl)methoxy]cyclohexan-1-amine

4-[(2,3-dichlorophenyl)methoxy]cyclohexan-1-amine (PubChem CID 107306212) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 4-[(2,3-dichlorophenyl)methoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(2,3-dichlorophenyl)methoxy]cyclohexan-1-amine
PubChem CID107306212
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name4-[(2,3-dichlorophenyl)methoxy]cyclohexan-1-amine
SMILESNC1CCC(OCc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C13H17Cl2NO/c14-12-3-1-2-9(13(12)15)8-17-11-6-4-10(16)5-7-11/h1-3,10-11H,4-8,16H2
InChIKeyOXISLVDSYZCEMA-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,3-dichlorophenyl)methoxy]cyclobutan-1-amine
CID 107307010
methyl 4-[(2,3-dichlorophenyl)methoxy]cyclohexane-1-carboxylate
CID 107305584
4-[(2-methylphenyl)methoxy]cyclohexan-1-amine
CID 62807392
3-[(2,3-dichlorophenyl)methoxy]piperidine
CID 107306986
4-[(2-chloro-4-fluorophenyl)methoxy]cyclohexan-1-amine
CID 62807216
4-N-[(2,3-dichlorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79122016
4-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine
CID 71165661
4-[(3-chloro-2-fluorophenyl)methoxy]piperidine
CID 103695215
3-[(3-chloro-4-pyridinyl)methoxy]cyclopentan-1-amine
CID 79465484
8-[(2,3-dichlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61232920
2-[(2,3-dichlorophenyl)methyl]cyclopentan-1-amine
CID 107307055
1-(2,3-dichlorophenyl)-3-piperidin-4-yloxypropan-2-one
CID 107311349

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dichlorophenyl)methoxy]cyclohexan-1-amine?
The IUPAC name of 4-[(2,3-dichlorophenyl)methoxy]cyclohexan-1-amine (CID 107306212) is 4-[(2,3-dichlorophenyl)methoxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[(2,3-dichlorophenyl)methoxy]cyclohexan-1-amine?
The canonical SMILES for 4-[(2,3-dichlorophenyl)methoxy]cyclohexan-1-amine is NC1CCC(OCc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 4-[(2,3-dichlorophenyl)methoxy]cyclohexan-1-amine?
The InChIKey is OXISLVDSYZCEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-12-3-1-2-9(13(12)15)8-17-11-6-4-10(16)5-7-11/h1-3,10-11H,4-8,16H2.
What are the key properties of 4-[(2,3-dichlorophenyl)methoxy]cyclohexan-1-amine?
4-[(2,3-dichlorophenyl)methoxy]cyclohexan-1-amine has a molecular weight of 274.19 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dichlorophenyl)methoxy]cyclohexan-1-amine is sourced from PubChem (CID 107306212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).