3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol

C14H23NO4 — CID 66169659

IUPAC3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol
SMILESCOc1ccc(C(C)NCC(C)(O)CO)c(OC)c1
InChIInChI=1S/C14H23NO4/c1-10(15-8-14(2,17)9-16)12-6-5-11(18-3)7-13(12)19-4/h5-7,10,15-17H,8-9H2,1-4H3
InChIKeyBNRGNYRRCXZCKN-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.10
Rot. Bonds7

About 3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol

3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol (PubChem CID 66169659) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol
PubChem CID66169659
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol
SMILESCOc1ccc(C(C)NCC(C)(O)CO)c(OC)c1
InChIInChI=1S/C14H23NO4/c1-10(15-8-14(2,17)9-16)12-6-5-11(18-3)7-13(12)19-4/h5-7,10,15-17H,8-9H2,1-4H3
InChIKeyBNRGNYRRCXZCKN-UHFFFAOYSA-N
XLogP1.10
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol 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

2-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81412732
4-[1-(2,4-dimethoxyphenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 103787619
1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 65103428
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
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylbutan-1-ol
CID 115722852
4-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]-2-methylbutan-2-ol
CID 82000365
[1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358422

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol (CID 66169659) is 3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol is COc1ccc(C(C)NCC(C)(O)CO)c(OC)c1.
What is the InChIKey of 3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol?
The InChIKey is BNRGNYRRCXZCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-10(15-8-14(2,17)9-16)12-6-5-11(18-3)7-13(12)19-4/h5-7,10,15-17H,8-9H2,1-4H3.
What are the key properties of 3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol?
3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol has a molecular weight of 269.34 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 66169659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).