4-[(4-methoxy-2,3,6-trimethylphenyl)methylamino]butan-1-ol

C15H25NO2 — CID 115217636

IUPAC4-[(4-methoxy-2,3,6-trimethylphenyl)methylamino]butan-1-ol
SMILESCOc1cc(C)c(CNCCCCO)c(C)c1C
InChIInChI=1S/C15H25NO2/c1-11-9-15(18-4)13(3)12(2)14(11)10-16-7-5-6-8-17/h9,16-17H,5-8,10H2,1-4H3
InChIKeyZDQSQIKBVRHRQZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.48
Rot. Bonds7

About 4-[(4-methoxy-2,3,6-trimethylphenyl)methylamino]butan-1-ol

4-[(4-methoxy-2,3,6-trimethylphenyl)methylamino]butan-1-ol (PubChem CID 115217636) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[(4-methoxy-2,3,6-trimethylphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name4-[(4-methoxy-2,3,6-trimethylphenyl)methylamino]butan-1-ol
PubChem CID115217636
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-[(4-methoxy-2,3,6-trimethylphenyl)methylamino]butan-1-ol
SMILESCOc1cc(C)c(CNCCCCO)c(C)c1C
InChIInChI=1S/C15H25NO2/c1-11-9-15(18-4)13(3)12(2)14(11)10-16-7-5-6-8-17/h9,16-17H,5-8,10H2,1-4H3
InChIKeyZDQSQIKBVRHRQZ-UHFFFAOYSA-N
XLogP2.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.48
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

N-(methoxymethyl)-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine
CID 115258612
4-(4-methoxy-2,3,6-trimethylanilino)butan-1-ol
CID 115217429
3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol
CID 117322234
1-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 115196603
N'-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-2,2-dimethylpropane-1,3-diamine
CID 115200085
4-[[2-fluoro-4-[3-[3-[3-fluoro-4-[(4-hydroxybutylamino)methyl]-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-6-methoxyphenyl]methylamino]butan-1-ol
CID 155463994
4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol
CID 115217828
4-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]butan-1-ol
CID 115217788
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine
CID 115244170
N-(2-chloroethyl)-2-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
CID 115215127
6-[(4,6-dimethoxypyrimidin-5-yl)methylamino]hexan-1-ol
CID 107848836
N'-[(2-methoxy-3,4,6-trimethylphenyl)methyl]butane-1,4-diamine
CID 115201256

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-2,3,6-trimethylphenyl)methylamino]butan-1-ol?
The IUPAC name of 4-[(4-methoxy-2,3,6-trimethylphenyl)methylamino]butan-1-ol (CID 115217636) is 4-[(4-methoxy-2,3,6-trimethylphenyl)methylamino]butan-1-ol.
What is the SMILES notation for 4-[(4-methoxy-2,3,6-trimethylphenyl)methylamino]butan-1-ol?
The canonical SMILES for 4-[(4-methoxy-2,3,6-trimethylphenyl)methylamino]butan-1-ol is COc1cc(C)c(CNCCCCO)c(C)c1C.
What is the InChIKey of 4-[(4-methoxy-2,3,6-trimethylphenyl)methylamino]butan-1-ol?
The InChIKey is ZDQSQIKBVRHRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11-9-15(18-4)13(3)12(2)14(11)10-16-7-5-6-8-17/h9,16-17H,5-8,10H2,1-4H3.
What are the key properties of 4-[(4-methoxy-2,3,6-trimethylphenyl)methylamino]butan-1-ol?
4-[(4-methoxy-2,3,6-trimethylphenyl)methylamino]butan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-2,3,6-trimethylphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 115217636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).