2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol

C14H20ClNO2 — CID 117427699

IUPAC2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol
SMILESCOc1cc(C)c(Cl)c(C2(N)CCCCC2)c1O
InChIInChI=1S/C14H20ClNO2/c1-9-8-10(18-2)13(17)11(12(9)15)14(16)6-4-3-5-7-14/h8,17H,3-7,16H2,1-2H3
InChIKeyRZBYPWVOROYZLE-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.48
Rot. Bonds2

About 2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol

2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol (PubChem CID 117427699) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol
PubChem CID117427699
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol
SMILESCOc1cc(C)c(Cl)c(C2(N)CCCCC2)c1O
InChIInChI=1S/C14H20ClNO2/c1-9-8-10(18-2)13(17)11(12(9)15)14(16)6-4-3-5-7-14/h8,17H,3-7,16H2,1-2H3
InChIKeyRZBYPWVOROYZLE-UHFFFAOYSA-N
XLogP3.48
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol
CID 117427824
2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol
CID 117377331
2-(1-aminocyclobutyl)-3-chloro-4-ethyl-6-methoxyphenol
CID 117392420
2-(1-aminocyclopropyl)-6-methoxy-3,4-dimethylphenol
CID 117296163
2-(1-aminocyclopropyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117335343
1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
CID 117427606
2-(1-aminocyclobutyl)-4-bromo-6-methoxy-3-methylphenol
CID 117461200
1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine
CID 117413656
2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol
CID 84779621
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine
CID 84790598
2-(1-aminocyclopropyl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117335344
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine
CID 117456401

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol?
The IUPAC name of 2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol (CID 117427699) is 2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol.
What is the SMILES notation for 2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol?
The canonical SMILES for 2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol is COc1cc(C)c(Cl)c(C2(N)CCCCC2)c1O.
What is the InChIKey of 2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol?
The InChIKey is RZBYPWVOROYZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9-8-10(18-2)13(17)11(12(9)15)14(16)6-4-3-5-7-14/h8,17H,3-7,16H2,1-2H3.
What are the key properties of 2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol?
2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol has a molecular weight of 269.77 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol is sourced from PubChem (CID 117427699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).