(Z)-1-(butylamino)-2-phenylethenol

C12H17NO — CID 134892949

IUPAC(Z)-1-(butylamino)-2-phenylethenol
SMILESCCCCN/C(O)=C/c1ccccc1
InChIInChI=1S/C12H17NO/c1-2-3-9-13-12(14)10-11-7-5-4-6-8-11/h4-8,10,13-14H,2-3,9H2,1H3/b12-10-
InChIKeyVZQFSBWKHGMCNP-BENRWUELSA-N
MW191.27 g/mol
LogP2.93
Rot. Bonds5

About (Z)-1-(butylamino)-2-phenylethenol

(Z)-1-(butylamino)-2-phenylethenol (PubChem CID 134892949) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (Z)-1-(butylamino)-2-phenylethenol.

Molecular Properties

Compound Name(Z)-1-(butylamino)-2-phenylethenol
PubChem CID134892949
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(Z)-1-(butylamino)-2-phenylethenol
SMILESCCCCN/C(O)=C/c1ccccc1
InChIInChI=1S/C12H17NO/c1-2-3-9-13-12(14)10-11-7-5-4-6-8-11/h4-8,10,13-14H,2-3,9H2,1H3/b12-10-
InChIKeyVZQFSBWKHGMCNP-BENRWUELSA-N
XLogP2.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1,2-diphenylethenyl]butan-1-amine
CID 143156717
1-(butylamino)-2-pyridin-3-ylethenol
CID 71416550
(E)-1-N-butyl-1-N',2-diphenylethene-1,1-diamine
CID 177403210
(E)-1-N-butyl-1-N'-(4-methylphenyl)-2-phenylethene-1,1-diamine
CID 177442927
3-oxo-3-(pentylamino)-1-phenylprop-1-ene-2-sulfonic acid
CID 174538982
2-methoxy-N-octyl-3-phenylprop-2-enamide
CID 69178102
[(Z)-2-chlorooct-1-enyl]benzene
CID 15271116
(E)-2-(butylsulfamoyl)-3-phenylprop-2-enoic acid
CID 70229641
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
4-tert-butyl-N-[(Z)-3-(butylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 2175993
N'-[(E)-benzylideneamino]-N-butylhexanediamide
CID 171980947
S-[(E)-3-phenylprop-2-enyl] N-butylcarbamothioate
CID 46854148

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(butylamino)-2-phenylethenol?
The IUPAC name of (Z)-1-(butylamino)-2-phenylethenol (CID 134892949) is (Z)-1-(butylamino)-2-phenylethenol.
What is the SMILES notation for (Z)-1-(butylamino)-2-phenylethenol?
The canonical SMILES for (Z)-1-(butylamino)-2-phenylethenol is CCCCN/C(O)=C/c1ccccc1.
What is the InChIKey of (Z)-1-(butylamino)-2-phenylethenol?
The InChIKey is VZQFSBWKHGMCNP-BENRWUELSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-3-9-13-12(14)10-11-7-5-4-6-8-11/h4-8,10,13-14H,2-3,9H2,1H3/b12-10-.
What are the key properties of (Z)-1-(butylamino)-2-phenylethenol?
(Z)-1-(butylamino)-2-phenylethenol has a molecular weight of 191.27 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(butylamino)-2-phenylethenol is sourced from PubChem (CID 134892949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).