1-(2-aminophenoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol

C13H22N2O4 — CID 61244457

IUPAC1-(2-aminophenoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol
SMILESNc1ccccc1OCC(O)CN(CCO)CCO
InChIInChI=1S/C13H22N2O4/c14-12-3-1-2-4-13(12)19-10-11(18)9-15(5-7-16)6-8-17/h1-4,11,16-18H,5-10,14H2
InChIKeyBGMZFGWRABYPTH-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.70
Rot. Bonds9

About 1-(2-aminophenoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol

1-(2-aminophenoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol (PubChem CID 61244457) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(2-aminophenoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-aminophenoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol
PubChem CID61244457
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-(2-aminophenoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol
SMILESNc1ccccc1OCC(O)CN(CCO)CCO
InChIInChI=1S/C13H22N2O4/c14-12-3-1-2-4-13(12)19-10-11(18)9-15(5-7-16)6-8-17/h1-4,11,16-18H,5-10,14H2
InChIKeyBGMZFGWRABYPTH-UHFFFAOYSA-N
XLogP-0.70
TPSA99.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 3843080
1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol
CID 3721527
1-[2-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]ethanone
CID 16807424
(2S)-1-[bis(2-hydroxyethyl)amino]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 2046985
(2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 95231993
1-(2-aminophenoxy)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-2-ol
CID 104551272
1-(2-aminophenoxy)-3-(N-methylanilino)propan-2-ol
CID 43364477
1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride
CID 16806866
1-[bis(2-hydroxyethyl)amino]-3-(1-bromonaphthalen-2-yl)oxypropan-2-ol
CID 3525630
1-[2-hydroxyethyl(2-phenylethyl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 86942993
(2S)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 40840949
1-(2-aminophenoxy)-3-(2-fluorophenoxy)propan-2-ol
CID 62269719

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol?
The IUPAC name of 1-(2-aminophenoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol (CID 61244457) is 1-(2-aminophenoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-aminophenoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol?
The canonical SMILES for 1-(2-aminophenoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol is Nc1ccccc1OCC(O)CN(CCO)CCO.
What is the InChIKey of 1-(2-aminophenoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol?
The InChIKey is BGMZFGWRABYPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c14-12-3-1-2-4-13(12)19-10-11(18)9-15(5-7-16)6-8-17/h1-4,11,16-18H,5-10,14H2.
What are the key properties of 1-(2-aminophenoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol?
1-(2-aminophenoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol has a molecular weight of 270.33 g/mol, XLogP of -0.70, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol is sourced from PubChem (CID 61244457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).