[4-[bis(2-ethoxyethyl)amino]phenyl]methanol

C15H25NO3 — CID 82951073

IUPAC[4-[bis(2-ethoxyethyl)amino]phenyl]methanol
SMILESCCOCCN(CCOCC)c1ccc(CO)cc1
InChIInChI=1S/C15H25NO3/c1-3-18-11-9-16(10-12-19-4-2)15-7-5-14(13-17)6-8-15/h5-8,17H,3-4,9-13H2,1-2H3
InChIKeyNENLFHXUQAROKT-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.06
Rot. Bonds10

About [4-[bis(2-ethoxyethyl)amino]phenyl]methanol

[4-[bis(2-ethoxyethyl)amino]phenyl]methanol (PubChem CID 82951073) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is [4-[bis(2-ethoxyethyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[4-[bis(2-ethoxyethyl)amino]phenyl]methanol
PubChem CID82951073
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name[4-[bis(2-ethoxyethyl)amino]phenyl]methanol
SMILESCCOCCN(CCOCC)c1ccc(CO)cc1
InChIInChI=1S/C15H25NO3/c1-3-18-11-9-16(10-12-19-4-2)15-7-5-14(13-17)6-8-15/h5-8,17H,3-4,9-13H2,1-2H3
InChIKeyNENLFHXUQAROKT-UHFFFAOYSA-N
XLogP2.06
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[bis(2-ethoxyethyl)amino]phenyl]methanol?
The IUPAC name of [4-[bis(2-ethoxyethyl)amino]phenyl]methanol (CID 82951073) is [4-[bis(2-ethoxyethyl)amino]phenyl]methanol.
What is the SMILES notation for [4-[bis(2-ethoxyethyl)amino]phenyl]methanol?
The canonical SMILES for [4-[bis(2-ethoxyethyl)amino]phenyl]methanol is CCOCCN(CCOCC)c1ccc(CO)cc1.
What is the InChIKey of [4-[bis(2-ethoxyethyl)amino]phenyl]methanol?
The InChIKey is NENLFHXUQAROKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-18-11-9-16(10-12-19-4-2)15-7-5-14(13-17)6-8-15/h5-8,17H,3-4,9-13H2,1-2H3.
What are the key properties of [4-[bis(2-ethoxyethyl)amino]phenyl]methanol?
[4-[bis(2-ethoxyethyl)amino]phenyl]methanol has a molecular weight of 267.37 g/mol, XLogP of 2.06, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(2-ethoxyethyl)amino]phenyl]methanol is sourced from PubChem (CID 82951073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).