2-[2-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-3-methylanilino]ethanol

C15H26N2O4 — CID 6452801

IUPAC2-[2-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
SMILESCc1cccc(N(CCO)CCO)c1N(CCO)CCO
InChIInChI=1S/C15H26N2O4/c1-13-3-2-4-14(16(5-9-18)6-10-19)15(13)17(7-11-20)8-12-21/h2-4,18-21H,5-12H2,1H3
InChIKeyFYAQGVUEDXOWAT-UHFFFAOYSA-N
MW298.38 g/mol
LogP-0.42
Rot. Bonds10

About 2-[2-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-3-methylanilino]ethanol

2-[2-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-3-methylanilino]ethanol (PubChem CID 6452801) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[2-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-3-methylanilino]ethanol.

Molecular Properties

Compound Name2-[2-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
PubChem CID6452801
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[2-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
SMILESCc1cccc(N(CCO)CCO)c1N(CCO)CCO
InChIInChI=1S/C15H26N2O4/c1-13-3-2-4-14(16(5-9-18)6-10-19)15(13)17(7-11-20)8-12-21/h2-4,18-21H,5-12H2,1H3
InChIKeyFYAQGVUEDXOWAT-UHFFFAOYSA-N
XLogP-0.42
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-amino-N-(2-hydroxyethyl)-2-(2-methylphenyl)anilino]ethanol
CID 175791160
1-[N-(2-hydroxyethyl)-2-methylanilino]propan-2-ol
CID 14569262
2-[2-ethyl-N-(2-hydroxyethyl)anilino]ethanol
CID 21391330
2-(N-ethyl-2-methyl-6-nitroanilino)ethanol
CID 115553982
2-(N-ethyl-2-methylanilino)ethanol sulfate
CID 19002397
N,N-dibutyl-2,6-dimethylaniline
CID 100917562
2-[2-fluoro-N-(2-hydroxyethyl)anilino]ethanol
CID 94254513
2-[2-(aminomethyl)-N-(2,2-difluoroethyl)-6-methylanilino]ethanol
CID 107478449
2,3-bis(dipentylamino)phenol
CID 67225665
2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110059
3-[benzyl(2-hydroxyethyl)amino]-2-methylphenol
CID 141277151
2-[2-amino-N-[2-(dimethylamino)ethyl]anilino]ethanol
CID 18417773

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-3-methylanilino]ethanol?
The IUPAC name of 2-[2-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-3-methylanilino]ethanol (CID 6452801) is 2-[2-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-3-methylanilino]ethanol.
What is the SMILES notation for 2-[2-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-3-methylanilino]ethanol?
The canonical SMILES for 2-[2-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-3-methylanilino]ethanol is Cc1cccc(N(CCO)CCO)c1N(CCO)CCO.
What is the InChIKey of 2-[2-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-3-methylanilino]ethanol?
The InChIKey is FYAQGVUEDXOWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-13-3-2-4-14(16(5-9-18)6-10-19)15(13)17(7-11-20)8-12-21/h2-4,18-21H,5-12H2,1H3.
What are the key properties of 2-[2-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-3-methylanilino]ethanol?
2-[2-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-3-methylanilino]ethanol has a molecular weight of 298.38 g/mol, XLogP of -0.42, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)-3-methylanilino]ethanol is sourced from PubChem (CID 6452801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).