4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol

C16H25NO3 — CID 43220624

IUPAC4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol
SMILESCCOc1cccc(CNC2CCC(O)CC2)c1OC
InChIInChI=1S/C16H25NO3/c1-3-20-15-6-4-5-12(16(15)19-2)11-17-13-7-9-14(18)10-8-13/h4-6,13-14,17-18H,3,7-11H2,1-2H3
InChIKeyQUWUVMXDYLZUEP-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.49
Rot. Bonds6

About 4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol

4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol (PubChem CID 43220624) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol
PubChem CID43220624
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol
SMILESCCOc1cccc(CNC2CCC(O)CC2)c1OC
InChIInChI=1S/C16H25NO3/c1-3-20-15-6-4-5-12(16(15)19-2)11-17-13-7-9-14(18)10-8-13/h4-6,13-14,17-18H,3,7-11H2,1-2H3
InChIKeyQUWUVMXDYLZUEP-UHFFFAOYSA-N
XLogP2.49
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
N-[(3-ethoxy-2-methoxyphenyl)methyl]thiolan-3-amine
CID 103701615
N-[(3-ethoxy-2-methoxyphenyl)methyl]oxolan-3-amine
CID 80713225
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471447
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
CID 55071667
2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]-N-ethylacetamide
CID 43279015
2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]propanamide
CID 43279005
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43434085
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081816
N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
CID 28718160

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol (CID 43220624) is 4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol is CCOc1cccc(CNC2CCC(O)CC2)c1OC.
What is the InChIKey of 4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is QUWUVMXDYLZUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-20-15-6-4-5-12(16(15)19-2)11-17-13-7-9-14(18)10-8-13/h4-6,13-14,17-18H,3,7-11H2,1-2H3.
What are the key properties of 4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol?
4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 43220624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).