[3-[(4-ethoxyphenyl)methyl]phenyl]methanamine

C16H19NO — CID 116926187

IUPAC[3-[(4-ethoxyphenyl)methyl]phenyl]methanamine
SMILESCCOc1ccc(Cc2cccc(CN)c2)cc1
InChIInChI=1S/C16H19NO/c1-2-18-16-8-6-13(7-9-16)10-14-4-3-5-15(11-14)12-17/h3-9,11H,2,10,12,17H2,1H3
InChIKeyKIVVXZZZIJGQOI-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.13
Rot. Bonds5

About [3-[(4-ethoxyphenyl)methyl]phenyl]methanamine

[3-[(4-ethoxyphenyl)methyl]phenyl]methanamine (PubChem CID 116926187) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is [3-[(4-ethoxyphenyl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(4-ethoxyphenyl)methyl]phenyl]methanamine
PubChem CID116926187
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name[3-[(4-ethoxyphenyl)methyl]phenyl]methanamine
SMILESCCOc1ccc(Cc2cccc(CN)c2)cc1
InChIInChI=1S/C16H19NO/c1-2-18-16-8-6-13(7-9-16)10-14-4-3-5-15(11-14)12-17/h3-9,11H,2,10,12,17H2,1H3
InChIKeyKIVVXZZZIJGQOI-UHFFFAOYSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-[(4-ethoxyphenyl)methyl]benzene
CID 46205787
[3-(4-ethoxyphenoxy)phenyl]methanamine
CID 58104515
[4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16787344
3-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylaniline
CID 117029128
4-ethoxyaniline;phenylmethanamine
CID 172737441
4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol
CID 20685429
[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine
CID 142082081
[3-[[4-(2-methylpropyl)phenyl]methyl]phenyl]methanamine
CID 116926181
1-ethoxy-4-[(4-propoxyphenyl)methyl]benzene
CID 21338136
[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
CID 43254277
1-ethoxy-3-[(4-nonylphenyl)methyl]benzene
CID 160903044
[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254285

Frequently Asked Questions

What is the IUPAC name of [3-[(4-ethoxyphenyl)methyl]phenyl]methanamine?
The IUPAC name of [3-[(4-ethoxyphenyl)methyl]phenyl]methanamine (CID 116926187) is [3-[(4-ethoxyphenyl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(4-ethoxyphenyl)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(4-ethoxyphenyl)methyl]phenyl]methanamine is CCOc1ccc(Cc2cccc(CN)c2)cc1.
What is the InChIKey of [3-[(4-ethoxyphenyl)methyl]phenyl]methanamine?
The InChIKey is KIVVXZZZIJGQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-18-16-8-6-13(7-9-16)10-14-4-3-5-15(11-14)12-17/h3-9,11H,2,10,12,17H2,1H3.
What are the key properties of [3-[(4-ethoxyphenyl)methyl]phenyl]methanamine?
[3-[(4-ethoxyphenyl)methyl]phenyl]methanamine has a molecular weight of 241.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-ethoxyphenyl)methyl]phenyl]methanamine is sourced from PubChem (CID 116926187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).