3-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]propane-1,2-diol

C14H23NO4 — CID 82850774

IUPAC3-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]propane-1,2-diol
SMILESCCNC(C)c1ccc(OC)cc1OCC(O)CO
InChIInChI=1S/C14H23NO4/c1-4-15-10(2)13-6-5-12(18-3)7-14(13)19-9-11(17)8-16/h5-7,10-11,15-17H,4,8-9H2,1-3H3
InChIKeyRCQLPFILANUWBN-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.10
Rot. Bonds8

About 3-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]propane-1,2-diol

3-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]propane-1,2-diol (PubChem CID 82850774) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]propane-1,2-diol
PubChem CID82850774
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]propane-1,2-diol
SMILESCCNC(C)c1ccc(OC)cc1OCC(O)CO
InChIInChI=1S/C14H23NO4/c1-4-15-10(2)13-6-5-12(18-3)7-14(13)19-9-11(17)8-16/h5-7,10-11,15-17H,4,8-9H2,1-3H3
InChIKeyRCQLPFILANUWBN-UHFFFAOYSA-N
XLogP1.10
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
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

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Related Compounds

3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol
CID 82850808
4-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]-2-methylbutan-2-ol
CID 82000365
3-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol
CID 82849319
1-[2-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-N-ethylethanamine
CID 82000221
1-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-3-methoxypropan-2-ol
CID 102947619
3-(2-amino-5-methoxyphenoxy)propane-1,2-diol
CID 102702275
3-[5-methoxy-2-(methylaminomethyl)phenoxy]propane-1,2-diol
CID 82850992
2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide
CID 82000648
4-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]butan-1-ol
CID 82000949
1-[2-(2-ethylbutoxy)-4-methoxyphenyl]-N-methylethanamine
CID 82927641
N-ethyl-1-[4-methoxy-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 82000944
4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol
CID 64910690

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]propane-1,2-diol?
The IUPAC name of 3-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]propane-1,2-diol (CID 82850774) is 3-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]propane-1,2-diol?
The canonical SMILES for 3-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]propane-1,2-diol is CCNC(C)c1ccc(OC)cc1OCC(O)CO.
What is the InChIKey of 3-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]propane-1,2-diol?
The InChIKey is RCQLPFILANUWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-4-15-10(2)13-6-5-12(18-3)7-14(13)19-9-11(17)8-16/h5-7,10-11,15-17H,4,8-9H2,1-3H3.
What are the key properties of 3-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]propane-1,2-diol?
3-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]propane-1,2-diol has a molecular weight of 269.34 g/mol, XLogP of 1.10, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]propane-1,2-diol is sourced from PubChem (CID 82850774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).