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

C14H23NO4 — CID 3843080

IUPAC1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CN(CCO)CCO
InChIInChI=1S/C14H23NO4/c1-12-4-2-3-5-14(12)19-11-13(18)10-15(6-8-16)7-9-17/h2-5,13,16-18H,6-11H2,1H3
InChIKeyZMABKEUWPOGQAL-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.02
Rot. Bonds9

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

1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 3843080) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID3843080
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CN(CCO)CCO
InChIInChI=1S/C14H23NO4/c1-12-4-2-3-5-14(12)19-11-13(18)10-15(6-8-16)7-9-17/h2-5,13,16-18H,6-11H2,1H3
InChIKeyZMABKEUWPOGQAL-UHFFFAOYSA-N
XLogP0.02
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 95231993
1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2915985
1-(2-aminophenoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol
CID 61244457
(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-(2,3-dimethylphenoxy)propan-2-ol
CID 27332155
1-[2-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]ethanone
CID 16807424
1-[bis(prop-2-ynyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 111490400
(2S)-1-[benzyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161495
1-[bis(2-hydroxyethyl)amino]-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride
CID 44828171
1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol
CID 3721527
1-[cyclopropylmethyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 78782947
1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride
CID 16806866
(2S)-1-[bis(2-hydroxyethyl)amino]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 2046985

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol (CID 3843080) is 1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OCC(O)CN(CCO)CCO.
What is the InChIKey of 1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is ZMABKEUWPOGQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-12-4-2-3-5-14(12)19-11-13(18)10-15(6-8-16)7-9-17/h2-5,13,16-18H,6-11H2,1H3.
What are the key properties of 1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol?
1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 269.34 g/mol, XLogP of 0.02, 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-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 3843080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).