[3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol

C17H21NO2 — CID 103648633

IUPAC[3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol
SMILESCCOc1ccc(CNCc2cccc(CO)c2)cc1
InChIInChI=1S/C17H21NO2/c1-2-20-17-8-6-14(7-9-17)11-18-12-15-4-3-5-16(10-15)13-19/h3-10,18-19H,2,11-13H2,1H3
InChIKeyRFSSCIOPTBOAOS-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.87
Rot. Bonds7

About [3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol

[3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol (PubChem CID 103648633) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol
PubChem CID103648633
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol
SMILESCCOc1ccc(CNCc2cccc(CO)c2)cc1
InChIInChI=1S/C17H21NO2/c1-2-20-17-8-6-14(7-9-17)11-18-12-15-4-3-5-16(10-15)13-19/h3-10,18-19H,2,11-13H2,1H3
InChIKeyRFSSCIOPTBOAOS-UHFFFAOYSA-N
XLogP2.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
CID 60777598
[3-[[(4-iodophenyl)methylamino]methyl]phenyl]methanol
CID 107230485
[3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]methanol
CID 103648640
3-[(4-ethoxyphenyl)methylamino]propan-1-ol
CID 7991761
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
[3-[(3-amino-5-ethoxyanilino)methyl]phenyl]methanol
CID 107231766
N-(bromomethyl)-1-(4-ethoxyphenyl)methanamine
CID 115261867
N-[[4-[(3-ethoxyphenoxy)methyl]phenyl]methyl]ethanamine
CID 62442576
4-[[(4-ethoxyphenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 6458588
1-(4-ethoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962438

Frequently Asked Questions

What is the IUPAC name of [3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol (CID 103648633) is [3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol is CCOc1ccc(CNCc2cccc(CO)c2)cc1.
What is the InChIKey of [3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol?
The InChIKey is RFSSCIOPTBOAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-20-17-8-6-14(7-9-17)11-18-12-15-4-3-5-16(10-15)13-19/h3-10,18-19H,2,11-13H2,1H3.
What are the key properties of [3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol?
[3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol has a molecular weight of 271.36 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 103648633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).