[2-[(4-ethoxyphenoxy)methyl]phenyl]methanamine

C16H19NO2 — CID 16792548

IUPAC[2-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
SMILESCCOc1ccc(OCc2ccccc2CN)cc1
InChIInChI=1S/C16H19NO2/c1-2-18-15-7-9-16(10-8-15)19-12-14-6-4-3-5-13(14)11-17/h3-10H,2,11-12,17H2,1H3
InChIKeyVTFOYBRPWLCZPW-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.12
Rot. Bonds6

About [2-[(4-ethoxyphenoxy)methyl]phenyl]methanamine

[2-[(4-ethoxyphenoxy)methyl]phenyl]methanamine (PubChem CID 16792548) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is [2-[(4-ethoxyphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
PubChem CID16792548
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name[2-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
SMILESCCOc1ccc(OCc2ccccc2CN)cc1
InChIInChI=1S/C16H19NO2/c1-2-18-15-7-9-16(10-8-15)19-12-14-6-4-3-5-13(14)11-17/h3-10H,2,11-12,17H2,1H3
InChIKeyVTFOYBRPWLCZPW-UHFFFAOYSA-N
XLogP3.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3-ethoxyphenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114137
2-[2-(aminomethyl)phenyl]-N-(4-ethoxyphenyl)acetamide
CID 81312144
[4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16787344
N-[[2-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
CID 62952156
2-[(4-ethoxyphenoxy)methyl]benzohydrazide
CID 63577001
[2-[(3-tert-butylphenoxy)methyl]phenyl]methanamine
CID 43169662
3-[[2-(aminomethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 22688623
2-[2-[(4-butylphenoxy)methyl]phenyl]ethanamine
CID 115493361
2-[2-(phenoxymethyl)phenyl]ethanamine
CID 113314861
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
4-ethoxyaniline;phenylmethanamine
CID 172737441
ethoxybenzene chloride
CID 21193593

Frequently Asked Questions

What is the IUPAC name of [2-[(4-ethoxyphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [2-[(4-ethoxyphenoxy)methyl]phenyl]methanamine (CID 16792548) is [2-[(4-ethoxyphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [2-[(4-ethoxyphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [2-[(4-ethoxyphenoxy)methyl]phenyl]methanamine is CCOc1ccc(OCc2ccccc2CN)cc1.
What is the InChIKey of [2-[(4-ethoxyphenoxy)methyl]phenyl]methanamine?
The InChIKey is VTFOYBRPWLCZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-18-15-7-9-16(10-8-15)19-12-14-6-4-3-5-13(14)11-17/h3-10H,2,11-12,17H2,1H3.
What are the key properties of [2-[(4-ethoxyphenoxy)methyl]phenyl]methanamine?
[2-[(4-ethoxyphenoxy)methyl]phenyl]methanamine has a molecular weight of 257.33 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-ethoxyphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 16792548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).