2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol;hydrochloride

C19H24ClNO — CID 6441459

IUPAC2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol;hydrochloride
SMILESCC(C(O)c1ccccc1)N(C)C/C=C/c1ccccc1.Cl
InChIInChI=1S/C19H23NO.ClH/c1-16(19(21)18-13-7-4-8-14-18)20(2)15-9-12-17-10-5-3-6-11-17;/h3-14,16,19,21H,15H2,1-2H3;1H/b12-9+;
InChIKeyRSBLYYMNHJDITE-NBYYMMLRSA-N
MW317.86 g/mol
LogP4.18
Rot. Bonds6

About 2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol;hydrochloride

2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol;hydrochloride (PubChem CID 6441459) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is 2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol;hydrochloride
PubChem CID6441459
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC Name2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol;hydrochloride
SMILESCC(C(O)c1ccccc1)N(C)C/C=C/c1ccccc1.Cl
InChIInChI=1S/C19H23NO.ClH/c1-16(19(21)18-13-7-4-8-14-18)20(2)15-9-12-17-10-5-3-6-11-17;/h3-14,16,19,21H,15H2,1-2H3;1H/b12-9+;
InChIKeyRSBLYYMNHJDITE-NBYYMMLRSA-N
XLogP4.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol;hydrochloride?
The IUPAC name of 2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol;hydrochloride (CID 6441459) is 2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol;hydrochloride is CC(C(O)c1ccccc1)N(C)C/C=C/c1ccccc1.Cl.
What is the InChIKey of 2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol;hydrochloride?
The InChIKey is RSBLYYMNHJDITE-NBYYMMLRSA-N. The full InChI is InChI=1S/C19H23NO.ClH/c1-16(19(21)18-13-7-4-8-14-18)20(2)15-9-12-17-10-5-3-6-11-17;/h3-14,16,19,21H,15H2,1-2H3;1H/b12-9+;.
What are the key properties of 2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol;hydrochloride?
2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 6441459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).