(E)-N-methyl-3-phenyl-N-[(3-prop-1-en-2-ylphenyl)methyl]prop-2-en-1-amine;hydrochloride

C20H24ClN — CID 18509453

IUPAC(E)-N-methyl-3-phenyl-N-[(3-prop-1-en-2-ylphenyl)methyl]prop-2-en-1-amine;hydrochloride
SMILESC=C(C)c1cccc(CN(C)C/C=C/c2ccccc2)c1.Cl
InChIInChI=1S/C20H23N.ClH/c1-17(2)20-13-7-11-19(15-20)16-21(3)14-8-12-18-9-5-4-6-10-18;/h4-13,15H,1,14,16H2,2-3H3;1H/b12-8+;
InChIKeyUJBKUWOJMLQQHM-MXZHIVQLSA-N
MW313.87 g/mol
LogP5.29
Rot. Bonds6

About (E)-N-methyl-3-phenyl-N-[(3-prop-1-en-2-ylphenyl)methyl]prop-2-en-1-amine;hydrochloride

(E)-N-methyl-3-phenyl-N-[(3-prop-1-en-2-ylphenyl)methyl]prop-2-en-1-amine;hydrochloride (PubChem CID 18509453) has the molecular formula C20H24ClN and a molecular weight of 313.87 g/mol. Its IUPAC name is (E)-N-methyl-3-phenyl-N-[(3-prop-1-en-2-ylphenyl)methyl]prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-N-methyl-3-phenyl-N-[(3-prop-1-en-2-ylphenyl)methyl]prop-2-en-1-amine;hydrochloride
PubChem CID18509453
Molecular FormulaC20H24ClN
Molecular Weight313.87 g/mol
Exact Mass313.16
IUPAC Name(E)-N-methyl-3-phenyl-N-[(3-prop-1-en-2-ylphenyl)methyl]prop-2-en-1-amine;hydrochloride
SMILESC=C(C)c1cccc(CN(C)C/C=C/c2ccccc2)c1.Cl
InChIInChI=1S/C20H23N.ClH/c1-17(2)20-13-7-11-19(15-20)16-21(3)14-8-12-18-9-5-4-6-10-18;/h4-13,15H,1,14,16H2,2-3H3;1H/b12-8+;
InChIKeyUJBKUWOJMLQQHM-MXZHIVQLSA-N
XLogP5.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.87
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-phenyl-N-[(3-prop-1-en-2-ylphenyl)methyl]prop-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-N-methyl-3-phenyl-N-[(3-prop-1-en-2-ylphenyl)methyl]prop-2-en-1-amine;hydrochloride (CID 18509453) is (E)-N-methyl-3-phenyl-N-[(3-prop-1-en-2-ylphenyl)methyl]prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-N-methyl-3-phenyl-N-[(3-prop-1-en-2-ylphenyl)methyl]prop-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-N-methyl-3-phenyl-N-[(3-prop-1-en-2-ylphenyl)methyl]prop-2-en-1-amine;hydrochloride is C=C(C)c1cccc(CN(C)C/C=C/c2ccccc2)c1.Cl.
What is the InChIKey of (E)-N-methyl-3-phenyl-N-[(3-prop-1-en-2-ylphenyl)methyl]prop-2-en-1-amine;hydrochloride?
The InChIKey is UJBKUWOJMLQQHM-MXZHIVQLSA-N. The full InChI is InChI=1S/C20H23N.ClH/c1-17(2)20-13-7-11-19(15-20)16-21(3)14-8-12-18-9-5-4-6-10-18;/h4-13,15H,1,14,16H2,2-3H3;1H/b12-8+;.
What are the key properties of (E)-N-methyl-3-phenyl-N-[(3-prop-1-en-2-ylphenyl)methyl]prop-2-en-1-amine;hydrochloride?
(E)-N-methyl-3-phenyl-N-[(3-prop-1-en-2-ylphenyl)methyl]prop-2-en-1-amine;hydrochloride has a molecular weight of 313.87 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-phenyl-N-[(3-prop-1-en-2-ylphenyl)methyl]prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 18509453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).