2-[[(Z)-4-phenylbut-3-enyl]amino]ethanol

C12H17NO — CID 82040501

IUPAC2-[[(Z)-4-phenylbut-3-enyl]amino]ethanol
SMILESOCCNCC/C=C\c1ccccc1
InChIInChI=1S/C12H17NO/c14-11-10-13-9-5-4-8-12-6-2-1-3-7-12/h1-4,6-8,13-14H,5,9-11H2/b8-4-
InChIKeyVJQMHUJDWBFFNV-YWEYNIOJSA-N
MW191.27 g/mol
LogP1.67
Rot. Bonds6

About 2-[[(Z)-4-phenylbut-3-enyl]amino]ethanol

2-[[(Z)-4-phenylbut-3-enyl]amino]ethanol (PubChem CID 82040501) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[[(Z)-4-phenylbut-3-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(Z)-4-phenylbut-3-enyl]amino]ethanol
PubChem CID82040501
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[[(Z)-4-phenylbut-3-enyl]amino]ethanol
SMILESOCCNCC/C=C\c1ccccc1
InChIInChI=1S/C12H17NO/c14-11-10-13-9-5-4-8-12-6-2-1-3-7-12/h1-4,6-8,13-14H,5,9-11H2/b8-4-
InChIKeyVJQMHUJDWBFFNV-YWEYNIOJSA-N
XLogP1.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.67
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

2-(2-hydroxyethylamino)ethanol;3-phenylprop-2-enoic acid
CID 74935363
[(E)-4-phenylbut-3-enyl]carbamic acid
CID 22018485
(E)-9-phenylnon-8-en-1-ol
CID 10489025
(E)-5-phenylpent-4-enal
CID 11105652
ethane-1,2-diol;(Z)-3-phenylprop-2-enal
CID 155351611
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
(E)-5-phenylpent-4-enoic acid
CID 5370650
3-[2-[[(E)-3-phenylprop-2-enyl]amino]ethylsulfanyl]propan-1-ol
CID 103649041
N-[(E)-4-phenylbut-3-enyl]pentanamide
CID 110667590
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
2-hydroxyethyl-dimethyl-(3-phenylprop-2-enyl)azanium
CID 57155174
2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 14988338

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-4-phenylbut-3-enyl]amino]ethanol?
The IUPAC name of 2-[[(Z)-4-phenylbut-3-enyl]amino]ethanol (CID 82040501) is 2-[[(Z)-4-phenylbut-3-enyl]amino]ethanol.
What is the SMILES notation for 2-[[(Z)-4-phenylbut-3-enyl]amino]ethanol?
The canonical SMILES for 2-[[(Z)-4-phenylbut-3-enyl]amino]ethanol is OCCNCC/C=C\c1ccccc1.
What is the InChIKey of 2-[[(Z)-4-phenylbut-3-enyl]amino]ethanol?
The InChIKey is VJQMHUJDWBFFNV-YWEYNIOJSA-N. The full InChI is InChI=1S/C12H17NO/c14-11-10-13-9-5-4-8-12-6-2-1-3-7-12/h1-4,6-8,13-14H,5,9-11H2/b8-4-.
What are the key properties of 2-[[(Z)-4-phenylbut-3-enyl]amino]ethanol?
2-[[(Z)-4-phenylbut-3-enyl]amino]ethanol has a molecular weight of 191.27 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-4-phenylbut-3-enyl]amino]ethanol is sourced from PubChem (CID 82040501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).