2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methylphenyl)ethanol

C13H21NO3 — CID 82312260

IUPAC2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CNCCOCCO)cc1
InChIInChI=1S/C13H21NO3/c1-11-2-4-12(5-3-11)13(16)10-14-6-8-17-9-7-15/h2-5,13-16H,6-10H2,1H3
InChIKeySRDRRLLMFPKBPN-UHFFFAOYSA-N
MW239.31 g/mol
LogP0.63
Rot. Bonds8

About 2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methylphenyl)ethanol

2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methylphenyl)ethanol (PubChem CID 82312260) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methylphenyl)ethanol
PubChem CID82312260
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)CNCCOCCO)cc1
InChIInChI=1S/C13H21NO3/c1-11-2-4-12(5-3-11)13(16)10-14-6-8-17-9-7-15/h2-5,13-16H,6-10H2,1H3
InChIKeySRDRRLLMFPKBPN-UHFFFAOYSA-N
XLogP0.63
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol
CID 82315910
3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 82312246
1-(3-bromophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol
CID 60733991
2-[2-(2-hydroxyethoxy)ethylamino]-3-methyl-1-(4-methylphenyl)butan-1-ol
CID 82312437
(1R)-2-(ethylamino)-1-(4-methylphenyl)ethanol
CID 39237107
2-[2-[[(4-methylphenyl)-phenylmethyl]amino]ethoxy]ethanol
CID 110878023
1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 112501683
N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]acetamide
CID 82312252
N-[3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propyl]acetamide
CID 82312288
1-[1-(4-chlorophenyl)ethoxy]-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 4852521
4-[1-hydroxy-2-[2-(2-methylpropoxy)ethylamino]ethyl]benzonitrile
CID 115701768
1-[2-(2-hydroxyethoxy)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 60633049

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methylphenyl)ethanol (CID 82312260) is 2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methylphenyl)ethanol is Cc1ccc(C(O)CNCCOCCO)cc1.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methylphenyl)ethanol?
The InChIKey is SRDRRLLMFPKBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-11-2-4-12(5-3-11)13(16)10-14-6-8-17-9-7-15/h2-5,13-16H,6-10H2,1H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methylphenyl)ethanol?
2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methylphenyl)ethanol has a molecular weight of 239.31 g/mol, XLogP of 0.63, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 82312260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).