3-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propane-1,2-diol

C14H23NO3 — CID 115122202

IUPAC3-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propane-1,2-diol
SMILESCCc1ccc(OC)c(CN(C)CC(O)CO)c1
InChIInChI=1S/C14H23NO3/c1-4-11-5-6-14(18-3)12(7-11)8-15(2)9-13(17)10-16/h5-7,13,16-17H,4,8-10H2,1-3H3
InChIKeyOSYVQGXCEWWANB-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.04
Rot. Bonds7

About 3-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propane-1,2-diol

3-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propane-1,2-diol (PubChem CID 115122202) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propane-1,2-diol
PubChem CID115122202
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propane-1,2-diol
SMILESCCc1ccc(OC)c(CN(C)CC(O)CO)c1
InChIInChI=1S/C14H23NO3/c1-4-11-5-6-14(18-3)12(7-11)8-15(2)9-13(17)10-16/h5-7,13,16-17H,4,8-10H2,1-3H3
InChIKeyOSYVQGXCEWWANB-UHFFFAOYSA-N
XLogP1.04
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]propane-1,2-diol
CID 115122416
3-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propane-1,2-diol
CID 115122415
[(5-ethyl-2-methoxyphenyl)methyl-methylamino]methanethiol
CID 115228081
N'-[(5-ethyl-2-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
CID 115227004
2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 115128018
3-[(4,8-dimethoxynaphthalen-1-yl)methyl-methylamino]propane-1,2-diol
CID 77094953
5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236595
2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137605
3-[(2-chloro-4-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 115122219
2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 117041938
3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 78907088
2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133450

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propane-1,2-diol?
The IUPAC name of 3-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propane-1,2-diol (CID 115122202) is 3-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propane-1,2-diol?
The canonical SMILES for 3-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propane-1,2-diol is CCc1ccc(OC)c(CN(C)CC(O)CO)c1.
What is the InChIKey of 3-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propane-1,2-diol?
The InChIKey is OSYVQGXCEWWANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-11-5-6-14(18-3)12(7-11)8-15(2)9-13(17)10-16/h5-7,13,16-17H,4,8-10H2,1-3H3.
What are the key properties of 3-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propane-1,2-diol?
3-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propane-1,2-diol has a molecular weight of 253.34 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propane-1,2-diol is sourced from PubChem (CID 115122202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).