4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol

C15H25NO3 — CID 64910692

IUPAC4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol
SMILESCOCc1cc(C(C)NCCC(C)O)ccc1OC
InChIInChI=1S/C15H25NO3/c1-11(17)7-8-16-12(2)13-5-6-15(19-4)14(9-13)10-18-3/h5-6,9,11-12,16-17H,7-8,10H2,1-4H3
InChIKeyHBCFDEAJZZGVBU-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.26
Rot. Bonds8

About 4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol

4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol (PubChem CID 64910692) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol.

Molecular Properties

Compound Name4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol
PubChem CID64910692
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol
SMILESCOCc1cc(C(C)NCCC(C)O)ccc1OC
InChIInChI=1S/C15H25NO3/c1-11(17)7-8-16-12(2)13-5-6-15(19-4)14(9-13)10-18-3/h5-6,9,11-12,16-17H,7-8,10H2,1-4H3
InChIKeyHBCFDEAJZZGVBU-UHFFFAOYSA-N
XLogP2.26
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]-2-methylpentan-1-ol
CID 103905531
4-[1-(3-bromo-4-methoxyphenyl)ethylamino]butan-2-ol
CID 64912156
2-[2-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]ethoxy]acetamide
CID 106235133
3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
CID 43514919
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-3-methylsulfonylpropan-1-amine
CID 61020425
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-3-methylsulfinylpropan-1-amine
CID 115721031
3-[[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]methyl]pentan-3-ol
CID 65107832
2-methoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
CID 115728707
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylsulfanylpropan-1-amine
CID 115895571
N-[2-(furan-2-yl)ethyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 43515337
2-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
CID 115724331
1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 60999677

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol?
The IUPAC name of 4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol (CID 64910692) is 4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol.
What is the SMILES notation for 4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol?
The canonical SMILES for 4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol is COCc1cc(C(C)NCCC(C)O)ccc1OC.
What is the InChIKey of 4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol?
The InChIKey is HBCFDEAJZZGVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(17)7-8-16-12(2)13-5-6-15(19-4)14(9-13)10-18-3/h5-6,9,11-12,16-17H,7-8,10H2,1-4H3.
What are the key properties of 4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol?
4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol is sourced from PubChem (CID 64910692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).