4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol

C15H25NO3 — CID 103784299

IUPAC4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNC(C)c1ccc(OC)cc1
InChIInChI=1S/C15H25NO3/c1-12(13-5-7-14(19-4)8-6-13)16-11-15(2,17)9-10-18-3/h5-8,12,16-17H,9-11H2,1-4H3
InChIKeyDKLVTXNNAICXSS-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.13
Rot. Bonds8

About 4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol

4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol (PubChem CID 103784299) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol
PubChem CID103784299
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNC(C)c1ccc(OC)cc1
InChIInChI=1S/C15H25NO3/c1-12(13-5-7-14(19-4)8-6-13)16-11-15(2,17)9-10-18-3/h5-8,12,16-17H,9-11H2,1-4H3
InChIKeyDKLVTXNNAICXSS-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-[1-(4-methoxyphenyl)propylamino]-2-methylbutan-2-ol
CID 103784224
1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784156
1-[1-(3,5-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784250
1-[1-(3-bromo-4-fluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784174
4-methoxy-2-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol
CID 103784307
methyl 2-hydroxy-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 104644811
1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784261
3-[1-(4-methoxyphenyl)ethylamino]-2,2-dimethylpropanoic acid
CID 79623366
1-[1-(5-chlorothiophen-3-yl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 102976607
4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine
CID 104628706
N-[1-(4-methoxyphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 113262472
1-[1-(4-bromophenyl)propylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784328

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol?
The IUPAC name of 4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol (CID 103784299) is 4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol?
The canonical SMILES for 4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol is COCCC(C)(O)CNC(C)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol?
The InChIKey is DKLVTXNNAICXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-12(13-5-7-14(19-4)8-6-13)16-11-15(2,17)9-10-18-3/h5-8,12,16-17H,9-11H2,1-4H3.
What are the key properties of 4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol?
4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 103784299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).