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

C13H21NO4 — CID 3721527

IUPAC1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol
SMILESOCCN(CCO)CC(O)COc1ccccc1
InChIInChI=1S/C13H21NO4/c15-8-6-14(7-9-16)10-12(17)11-18-13-4-2-1-3-5-13/h1-5,12,15-17H,6-11H2
InChIKeyKNKJIUZGNTUAJN-UHFFFAOYSA-N
MW255.31 g/mol
LogP-0.29
Rot. Bonds9

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

1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol (PubChem CID 3721527) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol
PubChem CID3721527
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol
SMILESOCCN(CCO)CC(O)COc1ccccc1
InChIInChI=1S/C13H21NO4/c15-8-6-14(7-9-16)10-12(17)11-18-13-4-2-1-3-5-13/h1-5,12,15-17H,6-11H2
InChIKeyKNKJIUZGNTUAJN-UHFFFAOYSA-N
XLogP-0.29
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[bis(2-hydroxy-3-phenoxypropyl)amino]ethyl-(2-hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol
CID 4019354
1-[benzyl(2-hydroxyethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 21237741
1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 3843080
1-(2-aminophenoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol
CID 61244457
1-[bis(2-hydroxyethyl)amino]-3-(4-nitrophenoxy)propan-2-ol;hydrochloride
CID 44784256
1-(4-aminophenoxy)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol
CID 61444137
1-[bis(2-hydroxyethyl)amino]-3-(3,4,5-tribromophenoxy)propan-2-ol
CID 21411252
3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857
(2S)-1-[4-[bis[(2R)-2-hydroxy-3-phenoxypropyl]amino]-N-[(2S)-2-hydroxy-3-phenoxypropyl]anilino]-3-phenoxypropan-2-ol
CID 99654291
[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropyl] benzoate
CID 5134016
(2R)-1-[2-methoxyethyl(2-methylpropyl)amino]-3-phenoxypropan-2-ol
CID 95285904

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol (CID 3721527) is 1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol is OCCN(CCO)CC(O)COc1ccccc1.
What is the InChIKey of 1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol?
The InChIKey is KNKJIUZGNTUAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c15-8-6-14(7-9-16)10-12(17)11-18-13-4-2-1-3-5-13/h1-5,12,15-17H,6-11H2.
What are the key properties of 1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol?
1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol has a molecular weight of 255.31 g/mol, XLogP of -0.29, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 3721527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).