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

C14H24N2O3 — CID 117063243

IUPAC1-[bis(2-hydroxyethyl)amino]-3-(N-methylanilino)propan-2-ol
SMILESCN(CC(O)CN(CCO)CCO)c1ccccc1
InChIInChI=1S/C14H24N2O3/c1-15(13-5-3-2-4-6-13)11-14(19)12-16(7-9-17)8-10-18/h2-6,14,17-19H,7-12H2,1H3
InChIKeyCSTZKYDYWIASBI-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.23
Rot. Bonds9

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

1-[bis(2-hydroxyethyl)amino]-3-(N-methylanilino)propan-2-ol (PubChem CID 117063243) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[bis(2-hydroxyethyl)amino]-3-(N-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-[bis(2-hydroxyethyl)amino]-3-(N-methylanilino)propan-2-ol
PubChem CID117063243
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[bis(2-hydroxyethyl)amino]-3-(N-methylanilino)propan-2-ol
SMILESCN(CC(O)CN(CCO)CCO)c1ccccc1
InChIInChI=1S/C14H24N2O3/c1-15(13-5-3-2-4-6-13)11-14(19)12-16(7-9-17)8-10-18/h2-6,14,17-19H,7-12H2,1H3
InChIKeyCSTZKYDYWIASBI-UHFFFAOYSA-N
XLogP-0.23
TPSA67.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(N-methylanilino)propan-2-ol
CID 39236034
(2S)-1-[4-[(2R)-2-hydroxy-3-(N-methylanilino)propoxy]phenoxy]-3-(N-methylanilino)propan-2-ol
CID 1232760
1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol
CID 3721527
(2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol
CID 10934135
3-[benzyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 3825046
3-[2-benzylsulfanylethyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 154376449
1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 3843080
[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropyl] benzoate
CID 5134016
1-(2-aminophenoxy)-3-(N-methylanilino)propan-2-ol
CID 43364477
(2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine
CID 22689433
2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol
CID 82214215
(2R)-2-methyl-3-(N-methylanilino)propanoic acid
CID 94253746

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-(N-methylanilino)propan-2-ol?
The IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-(N-methylanilino)propan-2-ol (CID 117063243) is 1-[bis(2-hydroxyethyl)amino]-3-(N-methylanilino)propan-2-ol.
What is the SMILES notation for 1-[bis(2-hydroxyethyl)amino]-3-(N-methylanilino)propan-2-ol?
The canonical SMILES for 1-[bis(2-hydroxyethyl)amino]-3-(N-methylanilino)propan-2-ol is CN(CC(O)CN(CCO)CCO)c1ccccc1.
What is the InChIKey of 1-[bis(2-hydroxyethyl)amino]-3-(N-methylanilino)propan-2-ol?
The InChIKey is CSTZKYDYWIASBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-15(13-5-3-2-4-6-13)11-14(19)12-16(7-9-17)8-10-18/h2-6,14,17-19H,7-12H2,1H3.
What are the key properties of 1-[bis(2-hydroxyethyl)amino]-3-(N-methylanilino)propan-2-ol?
1-[bis(2-hydroxyethyl)amino]-3-(N-methylanilino)propan-2-ol has a molecular weight of 268.36 g/mol, XLogP of -0.23, 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-(N-methylanilino)propan-2-ol is sourced from PubChem (CID 117063243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).