4-[[(3-ethoxyphenyl)methylamino]methyl]phenol

C16H19NO2 — CID 60777598

IUPAC4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
SMILESCCOc1cccc(CNCc2ccc(O)cc2)c1
InChIInChI=1S/C16H19NO2/c1-2-19-16-5-3-4-14(10-16)12-17-11-13-6-8-15(18)9-7-13/h3-10,17-18H,2,11-12H2,1H3
InChIKeyJIQHHGMASYBOOI-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.08
Rot. Bonds6

About 4-[[(3-ethoxyphenyl)methylamino]methyl]phenol

4-[[(3-ethoxyphenyl)methylamino]methyl]phenol (PubChem CID 60777598) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[[(3-ethoxyphenyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
PubChem CID60777598
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
SMILESCCOc1cccc(CNCc2ccc(O)cc2)c1
InChIInChI=1S/C16H19NO2/c1-2-19-16-5-3-4-14(10-16)12-17-11-13-6-8-15(18)9-7-13/h3-10,17-18H,2,11-12H2,1H3
InChIKeyJIQHHGMASYBOOI-UHFFFAOYSA-N
XLogP3.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
4-[[(3-ethoxyphenyl)methylamino]methyl]benzene-1,3-diol
CID 60873721
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
N-[[4-[(3-ethoxyphenoxy)methyl]phenyl]methyl]ethanamine
CID 62442576
[3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol
CID 103648633
N-[(4-bromo-3-methylphenyl)methyl]-1-(3-ethoxyphenyl)methanamine
CID 66474852
2-[[(3-ethoxyphenyl)methylamino]methyl]-4-methylphenol
CID 63324515
1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760835
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethoxyphenyl)methanamine
CID 60615873
4-[[(3-ethoxyphenyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 103240004
N-[(3-ethoxyphenyl)methyl]prop-2-yn-1-amine
CID 60873507
1-(3-ethoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66408093

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethoxyphenyl)methylamino]methyl]phenol?
The IUPAC name of 4-[[(3-ethoxyphenyl)methylamino]methyl]phenol (CID 60777598) is 4-[[(3-ethoxyphenyl)methylamino]methyl]phenol.
What is the SMILES notation for 4-[[(3-ethoxyphenyl)methylamino]methyl]phenol?
The canonical SMILES for 4-[[(3-ethoxyphenyl)methylamino]methyl]phenol is CCOc1cccc(CNCc2ccc(O)cc2)c1.
What is the InChIKey of 4-[[(3-ethoxyphenyl)methylamino]methyl]phenol?
The InChIKey is JIQHHGMASYBOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-19-16-5-3-4-14(10-16)12-17-11-13-6-8-15(18)9-7-13/h3-10,17-18H,2,11-12H2,1H3.
What are the key properties of 4-[[(3-ethoxyphenyl)methylamino]methyl]phenol?
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol has a molecular weight of 257.33 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethoxyphenyl)methylamino]methyl]phenol is sourced from PubChem (CID 60777598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).