1-[2-methoxy-5-[(E)-2-phenylethenyl]phenyl]-N-methylmethanamine

C17H19NO — CID 56707768

IUPAC1-[2-methoxy-5-[(E)-2-phenylethenyl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(/C=C/c2ccccc2)ccc1OC
InChIInChI=1S/C17H19NO/c1-18-13-16-12-15(10-11-17(16)19-2)9-8-14-6-4-3-5-7-14/h3-12,18H,13H2,1-2H3/b9-8+
InChIKeyDACJIUKUWZKIJJ-CMDGGOBGSA-N
MW253.34 g/mol
LogP3.59
Rot. Bonds5

About 1-[2-methoxy-5-[(E)-2-phenylethenyl]phenyl]-N-methylmethanamine

1-[2-methoxy-5-[(E)-2-phenylethenyl]phenyl]-N-methylmethanamine (PubChem CID 56707768) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[2-methoxy-5-[(E)-2-phenylethenyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-methoxy-5-[(E)-2-phenylethenyl]phenyl]-N-methylmethanamine
PubChem CID56707768
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-[2-methoxy-5-[(E)-2-phenylethenyl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(/C=C/c2ccccc2)ccc1OC
InChIInChI=1S/C17H19NO/c1-18-13-16-12-15(10-11-17(16)19-2)9-8-14-6-4-3-5-7-14/h3-12,18H,13H2,1-2H3/b9-8+
InChIKeyDACJIUKUWZKIJJ-CMDGGOBGSA-N
XLogP3.59
TPSA21.26 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 ≤ 53.59
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

1-(2-methoxy-5-phenoxyphenyl)-N-methylmethanamine
CID 82552149
4-methoxy-3-(methylaminomethyl)aniline
CID 21415904
2-methoxy-5-[(Z)-2-phenylethenyl]phenol
CID 6473980
methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate
CID 155479645
4-methoxy-3-(methylaminomethyl)phenol
CID 84731678
1-methoxy-4-methyl-2-[(E)-3-phenylprop-2-enyl]benzene
CID 15305963
1-[5-fluoro-2-(2-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 43314262
2-methoxy-1-pentoxy-4-[(E)-2-phenylethenyl]benzene
CID 102312295
1-(2-methoxy-5-pyridin-2-ylphenyl)-N-methylmethanamine
CID 63680782
(E)-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride
CID 17206556
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
1-[2-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 106484539

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-[(E)-2-phenylethenyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-methoxy-5-[(E)-2-phenylethenyl]phenyl]-N-methylmethanamine (CID 56707768) is 1-[2-methoxy-5-[(E)-2-phenylethenyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-methoxy-5-[(E)-2-phenylethenyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-methoxy-5-[(E)-2-phenylethenyl]phenyl]-N-methylmethanamine is CNCc1cc(/C=C/c2ccccc2)ccc1OC.
What is the InChIKey of 1-[2-methoxy-5-[(E)-2-phenylethenyl]phenyl]-N-methylmethanamine?
The InChIKey is DACJIUKUWZKIJJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H19NO/c1-18-13-16-12-15(10-11-17(16)19-2)9-8-14-6-4-3-5-7-14/h3-12,18H,13H2,1-2H3/b9-8+.
What are the key properties of 1-[2-methoxy-5-[(E)-2-phenylethenyl]phenyl]-N-methylmethanamine?
1-[2-methoxy-5-[(E)-2-phenylethenyl]phenyl]-N-methylmethanamine has a molecular weight of 253.34 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-[(E)-2-phenylethenyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 56707768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).