1-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol

C17H19NO — CID 6198651

IUPAC1-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol
SMILESOC(CNC/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO/c19-17(16-11-5-2-6-12-16)14-18-13-7-10-15-8-3-1-4-9-15/h1-12,17-19H,13-14H2/b10-7+
InChIKeyKGVMWXOXZIZYGK-JXMROGBWSA-N
MW253.35 g/mol
LogP3.02
Rot. Bonds6

About 1-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol

1-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol (PubChem CID 6198651) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol
PubChem CID6198651
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol
SMILESOC(CNC/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO/c19-17(16-11-5-2-6-12-16)14-18-13-7-10-15-8-3-1-4-9-15/h1-12,17-19H,13-14H2/b10-7+
InChIKeyKGVMWXOXZIZYGK-JXMROGBWSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-(3-phenylprop-2-enylamino)ethanol;hydrochloride
CID 78411509
1-(2,6-difluorophenyl)-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 111449301
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
2-methyl-3-(3-phenylprop-2-enylamino)propan-1-ol
CID 76950990
1-[2-(3-phenylprop-2-enylamino)ethylamino]propan-2-ol
CID 4720329
2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid
CID 99726876
1-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanylethanol
CID 75534520
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
3-[[(E)-3-phenylprop-2-enyl]amino]propanoic acid;hydrochloride
CID 163331518
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463
3-methyl-N-[(E)-3-phenylprop-2-enyl]but-2-en-1-amine
CID 103527857
(Z)-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-en-1-amine
CID 15311491

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol?
The IUPAC name of 1-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol (CID 6198651) is 1-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol.
What is the SMILES notation for 1-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol?
The canonical SMILES for 1-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol is OC(CNC/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol?
The InChIKey is KGVMWXOXZIZYGK-JXMROGBWSA-N. The full InChI is InChI=1S/C17H19NO/c19-17(16-11-5-2-6-12-16)14-18-13-7-10-15-8-3-1-4-9-15/h1-12,17-19H,13-14H2/b10-7+.
What are the key properties of 1-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol?
1-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol has a molecular weight of 253.35 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]ethanol is sourced from PubChem (CID 6198651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).