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

C16H27NO2 — CID 115217788

IUPAC4-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]butan-1-ol
SMILESCOc1c(C)cc(CCNCCCCO)c(C)c1C
InChIInChI=1S/C16H27NO2/c1-12-11-15(7-9-17-8-5-6-10-18)13(2)14(3)16(12)19-4/h11,17-18H,5-10H2,1-4H3
InChIKeyAXXOOQGDTALAGA-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.53
Rot. Bonds8

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

4-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]butan-1-ol (PubChem CID 115217788) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name4-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]butan-1-ol
PubChem CID115217788
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]butan-1-ol
SMILESCOc1c(C)cc(CCNCCCCO)c(C)c1C
InChIInChI=1S/C16H27NO2/c1-12-11-15(7-9-17-8-5-6-10-18)13(2)14(3)16(12)19-4/h11,17-18H,5-10H2,1-4H3
InChIKeyAXXOOQGDTALAGA-UHFFFAOYSA-N
XLogP2.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.53
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'-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-N-methylpropane-1,3-diamine
CID 115198003
4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol
CID 115217828
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
1-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]propan-2-ol
CID 112513447
N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine
CID 96661156
3-N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propane-1,2,3-triamine
CID 115119991
4-[2-(2,5-dimethylphenyl)ethylamino]butan-1-ol
CID 115217740
4-[(4-methoxy-2,3,6-trimethylphenyl)methylamino]butan-1-ol
CID 115217636
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202127
4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol
CID 115217746
4-[2-(2-chloro-4-methoxyphenyl)ethylamino]butan-1-ol
CID 115217795
3-[2-(5-chloro-2-methoxy-4-methylphenyl)ethylamino]propan-1-ol
CID 115217036

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]butan-1-ol?
The IUPAC name of 4-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]butan-1-ol (CID 115217788) is 4-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]butan-1-ol.
What is the SMILES notation for 4-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]butan-1-ol?
The canonical SMILES for 4-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]butan-1-ol is COc1c(C)cc(CCNCCCCO)c(C)c1C.
What is the InChIKey of 4-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]butan-1-ol?
The InChIKey is AXXOOQGDTALAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12-11-15(7-9-17-8-5-6-10-18)13(2)14(3)16(12)19-4/h11,17-18H,5-10H2,1-4H3.
What are the key properties of 4-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]butan-1-ol?
4-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]butan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.53, 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-2,3,5-trimethylphenyl)ethylamino]butan-1-ol is sourced from PubChem (CID 115217788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).