3-[bis(2-methoxyethyl)amino]-1-(2,5-dimethoxyphenyl)propan-1-ol

C17H29NO5 — CID 110830674

IUPAC3-[bis(2-methoxyethyl)amino]-1-(2,5-dimethoxyphenyl)propan-1-ol
SMILESCOCCN(CCOC)CCC(O)c1cc(OC)ccc1OC
InChIInChI=1S/C17H29NO5/c1-20-11-9-18(10-12-21-2)8-7-16(19)15-13-14(22-3)5-6-17(15)23-4/h5-6,13,16,19H,7-12H2,1-4H3
InChIKeyWAPYQOAIGZSODO-UHFFFAOYSA-N
MW327.42 g/mol
LogP1.72
Rot. Bonds12

About 3-[bis(2-methoxyethyl)amino]-1-(2,5-dimethoxyphenyl)propan-1-ol

3-[bis(2-methoxyethyl)amino]-1-(2,5-dimethoxyphenyl)propan-1-ol (PubChem CID 110830674) has the molecular formula C17H29NO5 and a molecular weight of 327.42 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]-1-(2,5-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]-1-(2,5-dimethoxyphenyl)propan-1-ol
PubChem CID110830674
Molecular FormulaC17H29NO5
Molecular Weight327.42 g/mol
Exact Mass327.20
IUPAC Name3-[bis(2-methoxyethyl)amino]-1-(2,5-dimethoxyphenyl)propan-1-ol
SMILESCOCCN(CCOC)CCC(O)c1cc(OC)ccc1OC
InChIInChI=1S/C17H29NO5/c1-20-11-9-18(10-12-21-2)8-7-16(19)15-13-14(22-3)5-6-17(15)23-4/h5-6,13,16,19H,7-12H2,1-4H3
InChIKeyWAPYQOAIGZSODO-UHFFFAOYSA-N
XLogP1.72
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[bis(2-methoxyethyl)amino]-1-(2-methoxy-5-methylphenyl)propan-1-ol
CID 82073888
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid
CID 6493924
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
3-amino-1-(2,5-dimethoxyphenyl)-4-methoxybutan-1-ol
CID 112629921
1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927728
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
1-(2,5-dimethoxyphenyl)-2-[ethyl(2-methylpropyl)amino]ethanol
CID 60969431
2-[ethyl(2-methoxyethyl)amino]-1-(2-methoxy-5-methylphenyl)ethanol
CID 54983134
3-methoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 65313094
2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol
CID 60896421
2-[1-(2,5-dimethoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid
CID 65067105

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)amino]-1-(2,5-dimethoxyphenyl)propan-1-ol?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]-1-(2,5-dimethoxyphenyl)propan-1-ol (CID 110830674) is 3-[bis(2-methoxyethyl)amino]-1-(2,5-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]-1-(2,5-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]-1-(2,5-dimethoxyphenyl)propan-1-ol is COCCN(CCOC)CCC(O)c1cc(OC)ccc1OC.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]-1-(2,5-dimethoxyphenyl)propan-1-ol?
The InChIKey is WAPYQOAIGZSODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO5/c1-20-11-9-18(10-12-21-2)8-7-16(19)15-13-14(22-3)5-6-17(15)23-4/h5-6,13,16,19H,7-12H2,1-4H3.
What are the key properties of 3-[bis(2-methoxyethyl)amino]-1-(2,5-dimethoxyphenyl)propan-1-ol?
3-[bis(2-methoxyethyl)amino]-1-(2,5-dimethoxyphenyl)propan-1-ol has a molecular weight of 327.42 g/mol, XLogP of 1.72, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)amino]-1-(2,5-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 110830674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).