(E)-N-methyl-N-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]methyl]-3-phenylprop-2-en-1-amine

C23H28N2 — CID 127041498

IUPAC(E)-N-methyl-N-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]methyl]-3-phenylprop-2-en-1-amine
SMILESCN1CCC=C(c2ccc(CN(C)C/C=C/c3ccccc3)cc2)C1
InChIInChI=1S/C23H28N2/c1-24(16-6-10-20-8-4-3-5-9-20)18-21-12-14-22(15-13-21)23-11-7-17-25(2)19-23/h3-6,8-15H,7,16-19H2,1-2H3/b10-6+
InChIKeyRLRHEFYKAJNXAZ-UXBLZVDNSA-N
MW332.49 g/mol
LogP4.55
Rot. Bonds6

About (E)-N-methyl-N-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]methyl]-3-phenylprop-2-en-1-amine

(E)-N-methyl-N-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]methyl]-3-phenylprop-2-en-1-amine (PubChem CID 127041498) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is (E)-N-methyl-N-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]methyl]-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-N-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]methyl]-3-phenylprop-2-en-1-amine
PubChem CID127041498
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name(E)-N-methyl-N-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]methyl]-3-phenylprop-2-en-1-amine
SMILESCN1CCC=C(c2ccc(CN(C)C/C=C/c3ccccc3)cc2)C1
InChIInChI=1S/C23H28N2/c1-24(16-6-10-20-8-4-3-5-9-20)18-21-12-14-22(15-13-21)23-11-7-17-25(2)19-23/h3-6,8-15H,7,16-19H2,1-2H3/b10-6+
InChIKeyRLRHEFYKAJNXAZ-UXBLZVDNSA-N
XLogP4.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]methyl]-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N-methyl-N-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]methyl]-3-phenylprop-2-en-1-amine (CID 127041498) is (E)-N-methyl-N-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]methyl]-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-methyl-N-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]methyl]-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N-methyl-N-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]methyl]-3-phenylprop-2-en-1-amine is CN1CCC=C(c2ccc(CN(C)C/C=C/c3ccccc3)cc2)C1.
What is the InChIKey of (E)-N-methyl-N-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]methyl]-3-phenylprop-2-en-1-amine?
The InChIKey is RLRHEFYKAJNXAZ-UXBLZVDNSA-N. The full InChI is InChI=1S/C23H28N2/c1-24(16-6-10-20-8-4-3-5-9-20)18-21-12-14-22(15-13-21)23-11-7-17-25(2)19-23/h3-6,8-15H,7,16-19H2,1-2H3/b10-6+.
What are the key properties of (E)-N-methyl-N-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]methyl]-3-phenylprop-2-en-1-amine?
(E)-N-methyl-N-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]methyl]-3-phenylprop-2-en-1-amine has a molecular weight of 332.49 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]methyl]-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 127041498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).