(E)-N-(2-methoxyethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine

C21H25NO — CID 6377750

IUPAC(E)-N-(2-methoxyethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
SMILESCOCCN(C/C=C/c1ccccc1)C/C=C/c1ccccc1
InChIInChI=1S/C21H25NO/c1-23-19-18-22(16-8-14-20-10-4-2-5-11-20)17-9-15-21-12-6-3-7-13-21/h2-15H,16-19H2,1H3/b14-8+,15-9+
InChIKeyHYFISBDAPBYJRF-VOMDNODZSA-N
MW307.44 g/mol
LogP4.36
Rot. Bonds9

About (E)-N-(2-methoxyethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine

(E)-N-(2-methoxyethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine (PubChem CID 6377750) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is (E)-N-(2-methoxyethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2-methoxyethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
PubChem CID6377750
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name(E)-N-(2-methoxyethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
SMILESCOCCN(C/C=C/c1ccccc1)C/C=C/c1ccccc1
InChIInChI=1S/C21H25NO/c1-23-19-18-22(16-8-14-20-10-4-2-5-11-20)17-9-15-21-12-6-3-7-13-21/h2-15H,16-19H2,1H3/b14-8+,15-9+
InChIKeyHYFISBDAPBYJRF-VOMDNODZSA-N
XLogP4.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methoxyethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine?
The IUPAC name of (E)-N-(2-methoxyethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine (CID 6377750) is (E)-N-(2-methoxyethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-N-(2-methoxyethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine?
The canonical SMILES for (E)-N-(2-methoxyethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine is COCCN(C/C=C/c1ccccc1)C/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(2-methoxyethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine?
The InChIKey is HYFISBDAPBYJRF-VOMDNODZSA-N. The full InChI is InChI=1S/C21H25NO/c1-23-19-18-22(16-8-14-20-10-4-2-5-11-20)17-9-15-21-12-6-3-7-13-21/h2-15H,16-19H2,1H3/b14-8+,15-9+.
What are the key properties of (E)-N-(2-methoxyethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine?
(E)-N-(2-methoxyethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine has a molecular weight of 307.44 g/mol, XLogP of 4.36, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxyethyl)-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine is sourced from PubChem (CID 6377750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).