3-[4-(dimethylamino)phenyl]prop-2-en-1-ol

C11H15NO — CID 53395716

IUPAC3-[4-(dimethylamino)phenyl]prop-2-en-1-ol
SMILESCN(C)c1ccc(C=CCO)cc1
InChIInChI=1S/C11H15NO/c1-12(2)11-7-5-10(6-8-11)4-3-9-13/h3-8,13H,9H2,1-2H3
InChIKeyPGYXGFIMMYWQSC-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.76
Rot. Bonds3

About 3-[4-(dimethylamino)phenyl]prop-2-en-1-ol

3-[4-(dimethylamino)phenyl]prop-2-en-1-ol (PubChem CID 53395716) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]prop-2-en-1-ol
PubChem CID53395716
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-[4-(dimethylamino)phenyl]prop-2-en-1-ol
SMILESCN(C)c1ccc(C=CCO)cc1
InChIInChI=1S/C11H15NO/c1-12(2)11-7-5-10(6-8-11)4-3-9-13/h3-8,13H,9H2,1-2H3
InChIKeyPGYXGFIMMYWQSC-UHFFFAOYSA-N
XLogP1.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
CID 173417054
CID 173417054
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline
CID 58649433
N,N-dimethyl-4-[(E)-3-nitrosoprop-1-enyl]aniline
CID 91934001
4-[(E)-hept-1-enyl]-N,N-dimethylaniline
CID 101050911
N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline
CID 10728588
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
tris(dimethylamino)-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phosphanium
CID 10794043
[(E)-2-[4-(dimethylamino)phenyl]ethenyl]boronic acid
CID 81222717
4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 71427638

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]prop-2-en-1-ol?
The IUPAC name of 3-[4-(dimethylamino)phenyl]prop-2-en-1-ol (CID 53395716) is 3-[4-(dimethylamino)phenyl]prop-2-en-1-ol.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]prop-2-en-1-ol?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]prop-2-en-1-ol is CN(C)c1ccc(C=CCO)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]prop-2-en-1-ol?
The InChIKey is PGYXGFIMMYWQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-12(2)11-7-5-10(6-8-11)4-3-9-13/h3-8,13H,9H2,1-2H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]prop-2-en-1-ol?
3-[4-(dimethylamino)phenyl]prop-2-en-1-ol has a molecular weight of 177.25 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 53395716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).