1-(3-amino-4-methylphenyl)-2-[bis(2-methoxyethyl)amino]ethanol

C15H26N2O3 — CID 82071614

IUPAC1-(3-amino-4-methylphenyl)-2-[bis(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCOC)CC(O)c1ccc(C)c(N)c1
InChIInChI=1S/C15H26N2O3/c1-12-4-5-13(10-14(12)16)15(18)11-17(6-8-19-2)7-9-20-3/h4-5,10,15,18H,6-9,11,16H2,1-3H3
InChIKeyOQXPANJQEABDJO-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.21
Rot. Bonds9

About 1-(3-amino-4-methylphenyl)-2-[bis(2-methoxyethyl)amino]ethanol

1-(3-amino-4-methylphenyl)-2-[bis(2-methoxyethyl)amino]ethanol (PubChem CID 82071614) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-2-[bis(2-methoxyethyl)amino]ethanol.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-2-[bis(2-methoxyethyl)amino]ethanol
PubChem CID82071614
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(3-amino-4-methylphenyl)-2-[bis(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCOC)CC(O)c1ccc(C)c(N)c1
InChIInChI=1S/C15H26N2O3/c1-12-4-5-13(10-14(12)16)15(18)11-17(6-8-19-2)7-9-20-3/h4-5,10,15,18H,6-9,11,16H2,1-3H3
InChIKeyOQXPANJQEABDJO-UHFFFAOYSA-N
XLogP1.21
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[bis(2-methoxyethyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60980971
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-2-methylaniline
CID 54985891
(1R)-1-(3-amino-4-methylphenyl)-2-bromoethanol
CID 59964195
1-(4-aminophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
CID 62265758
3-[[2-(3-aminophenyl)-2-hydroxyethyl]-(2-methoxyethyl)amino]propanenitrile
CID 63284375
1-(2-aminophenyl)-2-[bis(2-methoxyethyl)amino]ethanol
CID 62264582
5-(1-amino-2-methoxyethyl)-2-methylaniline
CID 55293794
1-(4-bromophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]ethanol
CID 111103190
1-(3-amino-4-methylphenyl)-2-[tert-butyl(ethyl)amino]ethanol
CID 82071565
1-(3,5-dimethylphenyl)-2-[ethyl(2-methoxyethyl)amino]ethanol
CID 79038389
2-[2-hydroxyethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 115629672
1-(3,5-dimethylphenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
CID 79038886

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)-2-[bis(2-methoxyethyl)amino]ethanol?
The IUPAC name of 1-(3-amino-4-methylphenyl)-2-[bis(2-methoxyethyl)amino]ethanol (CID 82071614) is 1-(3-amino-4-methylphenyl)-2-[bis(2-methoxyethyl)amino]ethanol.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-2-[bis(2-methoxyethyl)amino]ethanol?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-2-[bis(2-methoxyethyl)amino]ethanol is COCCN(CCOC)CC(O)c1ccc(C)c(N)c1.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-2-[bis(2-methoxyethyl)amino]ethanol?
The InChIKey is OQXPANJQEABDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-12-4-5-13(10-14(12)16)15(18)11-17(6-8-19-2)7-9-20-3/h4-5,10,15,18H,6-9,11,16H2,1-3H3.
What are the key properties of 1-(3-amino-4-methylphenyl)-2-[bis(2-methoxyethyl)amino]ethanol?
1-(3-amino-4-methylphenyl)-2-[bis(2-methoxyethyl)amino]ethanol has a molecular weight of 282.38 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylphenyl)-2-[bis(2-methoxyethyl)amino]ethanol is sourced from PubChem (CID 82071614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).