(E)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-en-1-amine

C21H26N2O — CID 11438666

IUPAC(E)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-en-1-amine
SMILESC[C@H](NC/C=C/c1ccccc1)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C21H26N2O/c1-18(22-12-6-9-19-7-3-2-4-8-19)20-10-5-11-21(17-20)23-13-15-24-16-14-23/h2-11,17-18,22H,12-16H2,1H3/b9-6+/t18-/m0/s1
InChIKeyDTRODZFCWIFZOS-YOCVDRLZSA-N
MW322.45 g/mol
LogP3.89
Rot. Bonds6

About (E)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-en-1-amine

(E)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-en-1-amine (PubChem CID 11438666) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (E)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-en-1-amine
PubChem CID11438666
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(E)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-en-1-amine
SMILESC[C@H](NC/C=C/c1ccccc1)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C21H26N2O/c1-18(22-12-6-9-19-7-3-2-4-8-19)20-10-5-11-21(17-20)23-13-15-24-16-14-23/h2-11,17-18,22H,12-16H2,1H3/b9-6+/t18-/m0/s1
InChIKeyDTRODZFCWIFZOS-YOCVDRLZSA-N
XLogP3.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-en-1-amine (CID 11438666) is (E)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-en-1-amine is C[C@H](NC/C=C/c1ccccc1)c1cccc(N2CCOCC2)c1.
What is the InChIKey of (E)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-en-1-amine?
The InChIKey is DTRODZFCWIFZOS-YOCVDRLZSA-N. The full InChI is InChI=1S/C21H26N2O/c1-18(22-12-6-9-19-7-3-2-4-8-19)20-10-5-11-21(17-20)23-13-15-24-16-14-23/h2-11,17-18,22H,12-16H2,1H3/b9-6+/t18-/m0/s1.
What are the key properties of (E)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-en-1-amine?
(E)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-en-1-amine has a molecular weight of 322.45 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 11438666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).