[3-[2-(4-methoxyphenoxy)ethylamino]phenyl]methanol

C16H19NO3 — CID 110880288

IUPAC[3-[2-(4-methoxyphenoxy)ethylamino]phenyl]methanol
SMILESCOc1ccc(OCCNc2cccc(CO)c2)cc1
InChIInChI=1S/C16H19NO3/c1-19-15-5-7-16(8-6-15)20-10-9-17-14-4-2-3-13(11-14)12-18/h2-8,11,17-18H,9-10,12H2,1H3
InChIKeyHXTWUUIDYKFAAS-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.68
Rot. Bonds7

About [3-[2-(4-methoxyphenoxy)ethylamino]phenyl]methanol

[3-[2-(4-methoxyphenoxy)ethylamino]phenyl]methanol (PubChem CID 110880288) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is [3-[2-(4-methoxyphenoxy)ethylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[2-(4-methoxyphenoxy)ethylamino]phenyl]methanol
PubChem CID110880288
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name[3-[2-(4-methoxyphenoxy)ethylamino]phenyl]methanol
SMILESCOc1ccc(OCCNc2cccc(CO)c2)cc1
InChIInChI=1S/C16H19NO3/c1-19-15-5-7-16(8-6-15)20-10-9-17-14-4-2-3-13(11-14)12-18/h2-8,11,17-18H,9-10,12H2,1H3
InChIKeyHXTWUUIDYKFAAS-UHFFFAOYSA-N
XLogP2.68
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54803079
3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline
CID 82096015
N-[2-(4-methoxyphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802827
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
4-[2-(4-methoxyanilino)ethoxy]phenol
CID 71735773
3-(3-methoxyanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031059
3-(3-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031072
N-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline
CID 54801882
3-(chloromethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65446140
4-iodo-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 60679168
3-[2-(4-methoxyanilino)ethoxy]benzoic acid
CID 103234904
2,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 107599146

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-methoxyphenoxy)ethylamino]phenyl]methanol?
The IUPAC name of [3-[2-(4-methoxyphenoxy)ethylamino]phenyl]methanol (CID 110880288) is [3-[2-(4-methoxyphenoxy)ethylamino]phenyl]methanol.
What is the SMILES notation for [3-[2-(4-methoxyphenoxy)ethylamino]phenyl]methanol?
The canonical SMILES for [3-[2-(4-methoxyphenoxy)ethylamino]phenyl]methanol is COc1ccc(OCCNc2cccc(CO)c2)cc1.
What is the InChIKey of [3-[2-(4-methoxyphenoxy)ethylamino]phenyl]methanol?
The InChIKey is HXTWUUIDYKFAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-19-15-5-7-16(8-6-15)20-10-9-17-14-4-2-3-13(11-14)12-18/h2-8,11,17-18H,9-10,12H2,1H3.
What are the key properties of [3-[2-(4-methoxyphenoxy)ethylamino]phenyl]methanol?
[3-[2-(4-methoxyphenoxy)ethylamino]phenyl]methanol has a molecular weight of 273.33 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-methoxyphenoxy)ethylamino]phenyl]methanol is sourced from PubChem (CID 110880288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).