4-[2-[[3-(hydroxymethoxy)phenyl]methylamino]ethyl]phenol

C16H19NO3 — CID 141064551

IUPAC4-[2-[[3-(hydroxymethoxy)phenyl]methylamino]ethyl]phenol
SMILESOCOc1cccc(CNCCc2ccc(O)cc2)c1
InChIInChI=1S/C16H19NO3/c18-12-20-16-3-1-2-14(10-16)11-17-9-8-13-4-6-15(19)7-5-13/h1-7,10,17-19H,8-9,11-12H2
InChIKeyUJPIQQDKTYEONA-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.05
Rot. Bonds7

About 4-[2-[[3-(hydroxymethoxy)phenyl]methylamino]ethyl]phenol

4-[2-[[3-(hydroxymethoxy)phenyl]methylamino]ethyl]phenol (PubChem CID 141064551) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-[2-[[3-(hydroxymethoxy)phenyl]methylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[3-(hydroxymethoxy)phenyl]methylamino]ethyl]phenol
PubChem CID141064551
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name4-[2-[[3-(hydroxymethoxy)phenyl]methylamino]ethyl]phenol
SMILESOCOc1cccc(CNCCc2ccc(O)cc2)c1
InChIInChI=1S/C16H19NO3/c18-12-20-16-3-1-2-14(10-16)11-17-9-8-13-4-6-15(19)7-5-13/h1-7,10,17-19H,8-9,11-12H2
InChIKeyUJPIQQDKTYEONA-UHFFFAOYSA-N
XLogP2.05
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292837
2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 17208490
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
CID 60777598
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17055075
2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 17208568
2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride
CID 2950906
2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17208702
2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 177381530
2-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17295166
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
4-[[2-(3-methylphenyl)ethylamino]methyl]phenol
CID 62314610
4-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17292932

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[3-(hydroxymethoxy)phenyl]methylamino]ethyl]phenol?
The IUPAC name of 4-[2-[[3-(hydroxymethoxy)phenyl]methylamino]ethyl]phenol (CID 141064551) is 4-[2-[[3-(hydroxymethoxy)phenyl]methylamino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[3-(hydroxymethoxy)phenyl]methylamino]ethyl]phenol?
The canonical SMILES for 4-[2-[[3-(hydroxymethoxy)phenyl]methylamino]ethyl]phenol is OCOc1cccc(CNCCc2ccc(O)cc2)c1.
What is the InChIKey of 4-[2-[[3-(hydroxymethoxy)phenyl]methylamino]ethyl]phenol?
The InChIKey is UJPIQQDKTYEONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-12-20-16-3-1-2-14(10-16)11-17-9-8-13-4-6-15(19)7-5-13/h1-7,10,17-19H,8-9,11-12H2.
What are the key properties of 4-[2-[[3-(hydroxymethoxy)phenyl]methylamino]ethyl]phenol?
4-[2-[[3-(hydroxymethoxy)phenyl]methylamino]ethyl]phenol has a molecular weight of 273.33 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[3-(hydroxymethoxy)phenyl]methylamino]ethyl]phenol is sourced from PubChem (CID 141064551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).