3-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol

C14H23NO2 — CID 112510132

IUPAC3-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol
SMILESCCNCCC(O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C14H23NO2/c1-5-15-7-6-13(16)12-8-11(3)14(17-4)9-10(12)2/h8-9,13,15-16H,5-7H2,1-4H3
InChIKeyQWHYPODKMJITTO-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.35
Rot. Bonds6

About 3-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol

3-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol (PubChem CID 112510132) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol
PubChem CID112510132
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol
SMILESCCNCCC(O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C14H23NO2/c1-5-15-7-6-13(16)12-8-11(3)14(17-4)9-10(12)2/h8-9,13,15-16H,5-7H2,1-4H3
InChIKeyQWHYPODKMJITTO-UHFFFAOYSA-N
XLogP2.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol
CID 113370104
1-(4,5-dimethoxy-2-methylphenyl)pentan-1-ol
CID 61080758
2-(butan-2-ylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 112510505
1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol
CID 61080760
3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid
CID 82366763
1-(4-methoxy-2,5-dimethylphenyl)-4-(methylamino)butane-1,2-diol
CID 171890556
3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 115831293
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-(methylamino)propan-1-ol
CID 112512918
2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine
CID 98783839
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 10703654
1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-ol
CID 105124333

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol (CID 112510132) is 3-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol is CCNCCC(O)c1cc(C)c(OC)cc1C.
What is the InChIKey of 3-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol?
The InChIKey is QWHYPODKMJITTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-15-7-6-13(16)12-8-11(3)14(17-4)9-10(12)2/h8-9,13,15-16H,5-7H2,1-4H3.
What are the key properties of 3-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol?
3-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 112510132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).