3-[bis(2-methoxyethyl)amino]-1-(2-methoxy-5-methylphenyl)propan-1-ol

C17H29NO4 — CID 82073888

IUPAC3-[bis(2-methoxyethyl)amino]-1-(2-methoxy-5-methylphenyl)propan-1-ol
SMILESCOCCN(CCOC)CCC(O)c1cc(C)ccc1OC
InChIInChI=1S/C17H29NO4/c1-14-5-6-17(22-4)15(13-14)16(19)7-8-18(9-11-20-2)10-12-21-3/h5-6,13,16,19H,7-12H2,1-4H3
InChIKeyAMMBHIVUDOMDHY-UHFFFAOYSA-N
MW311.42 g/mol
LogP2.02
Rot. Bonds11

About 3-[bis(2-methoxyethyl)amino]-1-(2-methoxy-5-methylphenyl)propan-1-ol

3-[bis(2-methoxyethyl)amino]-1-(2-methoxy-5-methylphenyl)propan-1-ol (PubChem CID 82073888) has the molecular formula C17H29NO4 and a molecular weight of 311.42 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]-1-(2-methoxy-5-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]-1-(2-methoxy-5-methylphenyl)propan-1-ol
PubChem CID82073888
Molecular FormulaC17H29NO4
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC Name3-[bis(2-methoxyethyl)amino]-1-(2-methoxy-5-methylphenyl)propan-1-ol
SMILESCOCCN(CCOC)CCC(O)c1cc(C)ccc1OC
InChIInChI=1S/C17H29NO4/c1-14-5-6-17(22-4)15(13-14)16(19)7-8-18(9-11-20-2)10-12-21-3/h5-6,13,16,19H,7-12H2,1-4H3
InChIKeyAMMBHIVUDOMDHY-UHFFFAOYSA-N
XLogP2.02
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[bis(2-methoxyethyl)amino]-1-(2,5-dimethoxyphenyl)propan-1-ol
CID 110830674
2-[ethyl(2-methoxyethyl)amino]-1-(2-methoxy-5-methylphenyl)ethanol
CID 54983134
2-[2-methoxyethyl(methyl)amino]-1-(2-methoxy-5-methylphenyl)ethanol
CID 54980294
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
1-(2-methoxy-5-methylphenyl)decan-1-ol
CID 65427724
methyl 4-hydroxy-4-(2-methoxy-5-methylphenyl)butanoate
CID 82347001
3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366721
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
N'-(2-methoxyethyl)-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 61427087
3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol
CID 81462431
4-hydroxy-4-(2-methoxy-5-methylphenyl)-N-propan-2-ylbutanamide
CID 112510957
1-(2-methoxy-5-methylphenyl)-3,5-dimethylhexan-1-ol
CID 114201838

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)amino]-1-(2-methoxy-5-methylphenyl)propan-1-ol?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]-1-(2-methoxy-5-methylphenyl)propan-1-ol (CID 82073888) is 3-[bis(2-methoxyethyl)amino]-1-(2-methoxy-5-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]-1-(2-methoxy-5-methylphenyl)propan-1-ol?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]-1-(2-methoxy-5-methylphenyl)propan-1-ol is COCCN(CCOC)CCC(O)c1cc(C)ccc1OC.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]-1-(2-methoxy-5-methylphenyl)propan-1-ol?
The InChIKey is AMMBHIVUDOMDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4/c1-14-5-6-17(22-4)15(13-14)16(19)7-8-18(9-11-20-2)10-12-21-3/h5-6,13,16,19H,7-12H2,1-4H3.
What are the key properties of 3-[bis(2-methoxyethyl)amino]-1-(2-methoxy-5-methylphenyl)propan-1-ol?
3-[bis(2-methoxyethyl)amino]-1-(2-methoxy-5-methylphenyl)propan-1-ol has a molecular weight of 311.42 g/mol, XLogP of 2.02, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)amino]-1-(2-methoxy-5-methylphenyl)propan-1-ol is sourced from PubChem (CID 82073888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).