[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine

C17H19NO — CID 142082081

IUPAC[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine
SMILESCCOc1ccc(/C=C/c2ccc(CN)cc2)cc1
InChIInChI=1S/C17H19NO/c1-2-19-17-11-9-15(10-12-17)4-3-14-5-7-16(13-18)8-6-14/h3-12H,2,13,18H2,1H3/b4-3+
InChIKeyNNZGPGOFXMQQOT-ONEGZZNKSA-N
MW253.34 g/mol
LogP3.71
Rot. Bonds5

About [4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine

[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine (PubChem CID 142082081) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is [4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine
PubChem CID142082081
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine
SMILESCCOc1ccc(/C=C/c2ccc(CN)cc2)cc1
InChIInChI=1S/C17H19NO/c1-2-19-17-11-9-15(10-12-17)4-3-14-5-7-16(13-18)8-6-14/h3-12H,2,13,18H2,1H3/b4-3+
InChIKeyNNZGPGOFXMQQOT-ONEGZZNKSA-N
XLogP3.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

[4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16787344
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline
CID 122211085
4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenol
CID 142764028
1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene
CID 22662535
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 67837040
5-[(E)-2-(4-ethoxyphenyl)ethenyl]benzene-1,3-diol
CID 57478509
[3-[(4-ethoxyphenyl)methyl]phenyl]methanamine
CID 116926187
4-ethoxyaniline;phenylmethanamine
CID 172737441
1-ethoxy-4-[3-(4-methylphenyl)prop-1-enyl]benzene
CID 58664971
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline
CID 70499270
5-[(E)-2-(4-ethoxyphenyl)ethenyl]-1,2,3-trifluorobenzene
CID 19039041

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine?
The IUPAC name of [4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine (CID 142082081) is [4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine.
What is the SMILES notation for [4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine?
The canonical SMILES for [4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine is CCOc1ccc(/C=C/c2ccc(CN)cc2)cc1.
What is the InChIKey of [4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine?
The InChIKey is NNZGPGOFXMQQOT-ONEGZZNKSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-19-17-11-9-15(10-12-17)4-3-14-5-7-16(13-18)8-6-14/h3-12H,2,13,18H2,1H3/b4-3+.
What are the key properties of [4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine?
[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine has a molecular weight of 253.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine is sourced from PubChem (CID 142082081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).