2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol

C16H27NO2 — CID 115137605

IUPAC2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
SMILESCCc1cc(CN(C)C(CO)C(C)C)ccc1OC
InChIInChI=1S/C16H27NO2/c1-6-14-9-13(7-8-16(14)19-5)10-17(4)15(11-18)12(2)3/h7-9,12,15,18H,6,10-11H2,1-5H3
InChIKeyZMZQOCVYRSKHNY-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.71
Rot. Bonds7

About 2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol

2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol (PubChem CID 115137605) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
PubChem CID115137605
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
SMILESCCc1cc(CN(C)C(CO)C(C)C)ccc1OC
InChIInChI=1S/C16H27NO2/c1-6-14-9-13(7-8-16(14)19-5)10-17(4)15(11-18)12(2)3/h7-9,12,15,18H,6,10-11H2,1-5H3
InChIKeyZMZQOCVYRSKHNY-UHFFFAOYSA-N
XLogP2.71
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137582
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137594
2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133450
2-[[5-(aminomethyl)-2-methoxyphenyl]methyl-methylamino]propan-1-ol
CID 113425969
2-[2-(3-ethyl-4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
CID 115137703
1-N-[(3-ethyl-4-methoxyphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199411
2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 117041938
2-[(3,4-difluorophenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137602
3-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115135387
N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 95445406
2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 117042024
3-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 115122202

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol?
The IUPAC name of 2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol (CID 115137605) is 2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol is CCc1cc(CN(C)C(CO)C(C)C)ccc1OC.
What is the InChIKey of 2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol?
The InChIKey is ZMZQOCVYRSKHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-14-9-13(7-8-16(14)19-5)10-17(4)15(11-18)12(2)3/h7-9,12,15,18H,6,10-11H2,1-5H3.
What are the key properties of 2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol?
2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 115137605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).