3-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]pentan-3-ol

C16H27NO2 — CID 65105446

IUPAC3-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)c1ccc(C)cc1OC
InChIInChI=1S/C16H27NO2/c1-6-16(18,7-2)11-17-13(4)14-9-8-12(3)10-15(14)19-5/h8-10,13,17-18H,6-7,11H2,1-5H3
InChIKeyMVJWLDFDOXTAQQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.21
Rot. Bonds7

About 3-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]pentan-3-ol

3-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]pentan-3-ol (PubChem CID 65105446) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]pentan-3-ol
PubChem CID65105446
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)c1ccc(C)cc1OC
InChIInChI=1S/C16H27NO2/c1-6-16(18,7-2)11-17-13(4)14-9-8-12(3)10-15(14)19-5/h8-10,13,17-18H,6-7,11H2,1-5H3
InChIKeyMVJWLDFDOXTAQQ-UHFFFAOYSA-N
XLogP3.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[1-(2-methoxy-4-methylphenyl)ethylamino]pentan-2-ol
CID 103783067
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904386
[4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol
CID 107230187
tert-butyl 2-[1-(2-methoxy-4-methylphenyl)ethylamino]acetate
CID 81463582
1-cyclopropyl-2-[1-(2-methoxy-4-methylphenyl)ethylamino]ethanol
CID 55171592
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfinylpropan-1-amine
CID 115896280
1-(2-methoxy-4-methylphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 113261692
3-[[1-(3,5-dimethylphenyl)ethylamino]methyl]pentan-3-ol
CID 81333592
2-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81412732
3-[[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]methyl]pentan-3-ol
CID 65107832
tert-butyl N-[3-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]carbamate
CID 103781132
3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol
CID 66169659

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]pentan-3-ol (CID 65105446) is 3-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]pentan-3-ol is CCC(O)(CC)CNC(C)c1ccc(C)cc1OC.
What is the InChIKey of 3-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]pentan-3-ol?
The InChIKey is MVJWLDFDOXTAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-16(18,7-2)11-17-13(4)14-9-8-12(3)10-15(14)19-5/h8-10,13,17-18H,6-7,11H2,1-5H3.
What are the key properties of 3-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]pentan-3-ol?
3-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]pentan-3-ol has a molecular weight of 265.40 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]pentan-3-ol is sourced from PubChem (CID 65105446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).