(E,1S)-N-benzyl-1,3-diphenylprop-2-en-1-amine

C22H21N — CID 11141090

IUPAC(E,1S)-N-benzyl-1,3-diphenylprop-2-en-1-amine
SMILESC(=C/[C@H](NCc1ccccc1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C22H21N/c1-4-10-19(11-5-1)16-17-22(21-14-8-3-9-15-21)23-18-20-12-6-2-7-13-20/h1-17,22-23H,18H2/b17-16+/t22-/m0/s1
InChIKeyDHXOANBSQFONCB-QWYDYZLZSA-N
MW299.42 g/mol
LogP5.23
Rot. Bonds6

About (E,1S)-N-benzyl-1,3-diphenylprop-2-en-1-amine

(E,1S)-N-benzyl-1,3-diphenylprop-2-en-1-amine (PubChem CID 11141090) has the molecular formula C22H21N and a molecular weight of 299.42 g/mol. Its IUPAC name is (E,1S)-N-benzyl-1,3-diphenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E,1S)-N-benzyl-1,3-diphenylprop-2-en-1-amine
PubChem CID11141090
Molecular FormulaC22H21N
Molecular Weight299.42 g/mol
Exact Mass299.17
IUPAC Name(E,1S)-N-benzyl-1,3-diphenylprop-2-en-1-amine
SMILESC(=C/[C@H](NCc1ccccc1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C22H21N/c1-4-10-19(11-5-1)16-17-22(21-14-8-3-9-15-21)23-18-20-12-6-2-7-13-20/h1-17,22-23H,18H2/b17-16+/t22-/m0/s1
InChIKeyDHXOANBSQFONCB-QWYDYZLZSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E,1S)-N-benzyl-1,3-diphenylprop-2-en-1-amine?
The IUPAC name of (E,1S)-N-benzyl-1,3-diphenylprop-2-en-1-amine (CID 11141090) is (E,1S)-N-benzyl-1,3-diphenylprop-2-en-1-amine.
What is the SMILES notation for (E,1S)-N-benzyl-1,3-diphenylprop-2-en-1-amine?
The canonical SMILES for (E,1S)-N-benzyl-1,3-diphenylprop-2-en-1-amine is C(=C/[C@H](NCc1ccccc1)c1ccccc1)\c1ccccc1.
What is the InChIKey of (E,1S)-N-benzyl-1,3-diphenylprop-2-en-1-amine?
The InChIKey is DHXOANBSQFONCB-QWYDYZLZSA-N. The full InChI is InChI=1S/C22H21N/c1-4-10-19(11-5-1)16-17-22(21-14-8-3-9-15-21)23-18-20-12-6-2-7-13-20/h1-17,22-23H,18H2/b17-16+/t22-/m0/s1.
What are the key properties of (E,1S)-N-benzyl-1,3-diphenylprop-2-en-1-amine?
(E,1S)-N-benzyl-1,3-diphenylprop-2-en-1-amine has a molecular weight of 299.42 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S)-N-benzyl-1,3-diphenylprop-2-en-1-amine is sourced from PubChem (CID 11141090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).