2-[(E)-1-(methylamino)-3-phenylprop-2-enyl]phenol

C16H17NO — CID 101117364

IUPAC2-[(E)-1-(methylamino)-3-phenylprop-2-enyl]phenol
SMILESCNC(/C=C/c1ccccc1)c1ccccc1O
InChIInChI=1S/C16H17NO/c1-17-15(14-9-5-6-10-16(14)18)12-11-13-7-3-2-4-8-13/h2-12,15,17-18H,1H3/b12-11+
InChIKeyUNTMHVNQIKXHGF-VAWYXSNFSA-N
MW239.32 g/mol
LogP3.37
Rot. Bonds4

About 2-[(E)-1-(methylamino)-3-phenylprop-2-enyl]phenol

2-[(E)-1-(methylamino)-3-phenylprop-2-enyl]phenol (PubChem CID 101117364) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(E)-1-(methylamino)-3-phenylprop-2-enyl]phenol.

Molecular Properties

Compound Name2-[(E)-1-(methylamino)-3-phenylprop-2-enyl]phenol
PubChem CID101117364
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-[(E)-1-(methylamino)-3-phenylprop-2-enyl]phenol
SMILESCNC(/C=C/c1ccccc1)c1ccccc1O
InChIInChI=1S/C16H17NO/c1-17-15(14-9-5-6-10-16(14)18)12-11-13-7-3-2-4-8-13/h2-12,15,17-18H,1H3/b12-11+
InChIKeyUNTMHVNQIKXHGF-VAWYXSNFSA-N
XLogP3.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(1,5-diphenylpenta-1,4-dien-3-yl)phenol
CID 67578967
2-[(E)-1-phenylpent-1-en-3-yl]phenol
CID 13258003
2-[(E)-1-hydroxy-3-phenylprop-2-enyl]benzene-1,4-diol
CID 25224834
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
3-phenylprop-2-ene-1,1-diol
CID 54432533
2-propan-2-ylphenol;styrene
CID 161412520
(2S)-2-ethyl-4-phenylbut-3-en-1-ol
CID 71353215
2-[(1R)-1-[benzyl-[(1S)-1-phenylethyl]amino]-3-phenylprop-2-enyl]phenol
CID 91271714
methylcarbamothioyl-diphenyl-[(E)-2-phenylethenyl]phosphanium
CID 100962959
2-[1-(methylamino)propyl]phenol
CID 12862798
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(methylamino)-3-phenylprop-2-enyl]phenol?
The IUPAC name of 2-[(E)-1-(methylamino)-3-phenylprop-2-enyl]phenol (CID 101117364) is 2-[(E)-1-(methylamino)-3-phenylprop-2-enyl]phenol.
What is the SMILES notation for 2-[(E)-1-(methylamino)-3-phenylprop-2-enyl]phenol?
The canonical SMILES for 2-[(E)-1-(methylamino)-3-phenylprop-2-enyl]phenol is CNC(/C=C/c1ccccc1)c1ccccc1O.
What is the InChIKey of 2-[(E)-1-(methylamino)-3-phenylprop-2-enyl]phenol?
The InChIKey is UNTMHVNQIKXHGF-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H17NO/c1-17-15(14-9-5-6-10-16(14)18)12-11-13-7-3-2-4-8-13/h2-12,15,17-18H,1H3/b12-11+.
What are the key properties of 2-[(E)-1-(methylamino)-3-phenylprop-2-enyl]phenol?
2-[(E)-1-(methylamino)-3-phenylprop-2-enyl]phenol has a molecular weight of 239.32 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(methylamino)-3-phenylprop-2-enyl]phenol is sourced from PubChem (CID 101117364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).