4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol

C15H25NO2 — CID 115217828

IUPAC4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol
SMILESCOc1c(C)cc(CCNCCCCO)cc1C
InChIInChI=1S/C15H25NO2/c1-12-10-14(11-13(2)15(12)18-3)6-8-16-7-4-5-9-17/h10-11,16-17H,4-9H2,1-3H3
InChIKeyWKQZJKLADSMNEF-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.22
Rot. Bonds8

About 4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol

4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol (PubChem CID 115217828) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol
PubChem CID115217828
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol
SMILESCOc1c(C)cc(CCNCCCCO)cc1C
InChIInChI=1S/C15H25NO2/c1-12-10-14(11-13(2)15(12)18-3)6-8-16-7-4-5-9-17/h10-11,16-17H,4-9H2,1-3H3
InChIKeyWKQZJKLADSMNEF-UHFFFAOYSA-N
XLogP2.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.22
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

[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methanol
CID 115229389
4-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]butan-1-ol
CID 115217788
5-(4-methoxy-3,5-dimethylphenyl)-N-propylpentan-1-amine
CID 83067861
4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-2-one
CID 115235985
3-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]propane-1,2-diol
CID 115122359
N'-[2-(3,4-dimethoxy-5-methylphenyl)ethyl]-N-(2-phenylethyl)hexane-1,6-diamine;dihydrochloride
CID 19838089
6-(4-methoxy-3,5-dimethylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 83048538
2-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]-2-methylpropan-1-ol
CID 115133609
3-[[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine
CID 115214323
4-[2-(4-methylphenyl)ethylamino]butan-1-ol
CID 115217735
5-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol
CID 62603706
2-(4-methoxy-3,5-dimethylphenyl)ethylurea
CID 115168574

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol?
The IUPAC name of 4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol (CID 115217828) is 4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol.
What is the SMILES notation for 4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol?
The canonical SMILES for 4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol is COc1c(C)cc(CCNCCCCO)cc1C.
What is the InChIKey of 4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol?
The InChIKey is WKQZJKLADSMNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12-10-14(11-13(2)15(12)18-3)6-8-16-7-4-5-9-17/h10-11,16-17H,4-9H2,1-3H3.
What are the key properties of 4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol?
4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol is sourced from PubChem (CID 115217828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).