2-[2-hydroxyethyl-[(2-methylphenyl)methyl]amino]ethanol

C12H19NO2 — CID 44719349

IUPAC2-[2-hydroxyethyl-[(2-methylphenyl)methyl]amino]ethanol
SMILESCc1ccccc1CN(CCO)CCO
InChIInChI=1S/C12H19NO2/c1-11-4-2-3-5-12(11)10-13(6-8-14)7-9-15/h2-5,14-15H,6-10H2,1H3
InChIKeyCKRPDJJDILBMLP-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.78
Rot. Bonds6

About 2-[2-hydroxyethyl-[(2-methylphenyl)methyl]amino]ethanol

2-[2-hydroxyethyl-[(2-methylphenyl)methyl]amino]ethanol (PubChem CID 44719349) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[(2-methylphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[(2-methylphenyl)methyl]amino]ethanol
PubChem CID44719349
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[2-hydroxyethyl-[(2-methylphenyl)methyl]amino]ethanol
SMILESCc1ccccc1CN(CCO)CCO
InChIInChI=1S/C12H19NO2/c1-11-4-2-3-5-12(11)10-13(6-8-14)7-9-15/h2-5,14-15H,6-10H2,1H3
InChIKeyCKRPDJJDILBMLP-UHFFFAOYSA-N
XLogP0.78
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol
CID 111423251
N,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 86028064
2-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
CID 111753096
3-[3-hydroxypropyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 82327795
2-[[2-[6-hydroxyhexyl-[(2-methylphenyl)methyl]amino]ethyl-(hydroxymethyl)amino]methyl]phenol
CID 134530594
2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 16769161
2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol
CID 60689529
2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol
CID 115970191
2,6-bis[[2-hydroxyethyl-[(2-hydroxyphenyl)methyl]amino]methyl]-4-methylphenol
CID 102274053
(Z)-5-(2-methylphenyl)pent-3-en-1-ol
CID 117267923
3-[(2-fluorophenyl)methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111112508
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol
CID 107113213

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[(2-methylphenyl)methyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[(2-methylphenyl)methyl]amino]ethanol (CID 44719349) is 2-[2-hydroxyethyl-[(2-methylphenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[(2-methylphenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[(2-methylphenyl)methyl]amino]ethanol is Cc1ccccc1CN(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl-[(2-methylphenyl)methyl]amino]ethanol?
The InChIKey is CKRPDJJDILBMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-11-4-2-3-5-12(11)10-13(6-8-14)7-9-15/h2-5,14-15H,6-10H2,1H3.
What are the key properties of 2-[2-hydroxyethyl-[(2-methylphenyl)methyl]amino]ethanol?
2-[2-hydroxyethyl-[(2-methylphenyl)methyl]amino]ethanol has a molecular weight of 209.29 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[(2-methylphenyl)methyl]amino]ethanol is sourced from PubChem (CID 44719349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).