2-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-2-methylbutan-1-ol

C16H27NO3 — CID 81412732

IUPAC2-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNC(C)c1ccc(OC)cc1OC
InChIInChI=1S/C16H27NO3/c1-6-16(3,11-18)10-17-12(2)14-8-7-13(19-4)9-15(14)20-5/h7-9,12,17-18H,6,10-11H2,1-5H3
InChIKeyOWERFRDKBHTENC-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.76
Rot. Bonds8

About 2-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-2-methylbutan-1-ol

2-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-2-methylbutan-1-ol (PubChem CID 81412732) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-2-methylbutan-1-ol
PubChem CID81412732
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNC(C)c1ccc(OC)cc1OC
InChIInChI=1S/C16H27NO3/c1-6-16(3,11-18)10-17-12(2)14-8-7-13(19-4)9-15(14)20-5/h7-9,12,17-18H,6,10-11H2,1-5H3
InChIKeyOWERFRDKBHTENC-UHFFFAOYSA-N
XLogP2.76
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-2-methylbutan-1-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

3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol
CID 66169659
4-[1-(2,4-dimethoxyphenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 103787619
1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720480
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 102551497
4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol
CID 64910690
N-[1-(2,4-dimethoxyphenyl)ethyl]but-2-yn-1-amine
CID 115896882
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine
CID 113303579
1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 65103428
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine
CID 43674264
3-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]pentan-3-ol
CID 65105446
1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 62679747
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-2-methylbutan-1-ol (CID 81412732) is 2-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNC(C)c1ccc(OC)cc1OC.
What is the InChIKey of 2-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-2-methylbutan-1-ol?
The InChIKey is OWERFRDKBHTENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-16(3,11-18)10-17-12(2)14-8-7-13(19-4)9-15(14)20-5/h7-9,12,17-18H,6,10-11H2,1-5H3.
What are the key properties of 2-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-2-methylbutan-1-ol?
2-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-2-methylbutan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 81412732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).