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

C16H19NO2 — CID 16787344

IUPAC[4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
SMILESCCOc1ccc(OCc2ccc(CN)cc2)cc1
InChIInChI=1S/C16H19NO2/c1-2-18-15-7-9-16(10-8-15)19-12-14-5-3-13(11-17)4-6-14/h3-10H,2,11-12,17H2,1H3
InChIKeyMELYBYDTHXZFFM-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.12
Rot. Bonds6

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

[4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine (PubChem CID 16787344) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is [4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
PubChem CID16787344
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name[4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
SMILESCCOc1ccc(OCc2ccc(CN)cc2)cc1
InChIInChI=1S/C16H19NO2/c1-2-18-15-7-9-16(10-8-15)19-12-14-5-3-13(11-17)4-6-14/h3-10H,2,11-12,17H2,1H3
InChIKeyMELYBYDTHXZFFM-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

[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine
CID 142082081
2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine
CID 105350465
1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene
CID 123874930
1-[4-[[4-(aminomethyl)phenyl]methoxy]phenyl]propan-1-one
CID 82147468
[4-(4-phenylmethoxyphenoxy)phenyl]methanamine
CID 139985270
[3-[(4-ethoxyphenyl)methyl]phenyl]methanamine
CID 116926187
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
4-ethoxyaniline;phenylmethanamine
CID 172737441
4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 24690580
[2-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16792548
[3-(4-ethoxyphenoxy)phenyl]methanamine
CID 58104515
3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde
CID 25120528

Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine (CID 16787344) is [4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine is CCOc1ccc(OCc2ccc(CN)cc2)cc1.
What is the InChIKey of [4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine?
The InChIKey is MELYBYDTHXZFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-18-15-7-9-16(10-8-15)19-12-14-5-3-13(11-17)4-6-14/h3-10H,2,11-12,17H2,1H3.
What are the key properties of [4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine?
[4-[(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 [4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 16787344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).