4-[1-(4-chlorophenyl)-3-(dimethylamino)prop-1-enyl]-2-(dimethylamino)phenol

C19H23ClN2O — CID 57112922

IUPAC4-[1-(4-chlorophenyl)-3-(dimethylamino)prop-1-enyl]-2-(dimethylamino)phenol
SMILESCN(C)CC=C(c1ccc(Cl)cc1)c1ccc(O)c(N(C)C)c1
InChIInChI=1S/C19H23ClN2O/c1-21(2)12-11-17(14-5-8-16(20)9-6-14)15-7-10-19(23)18(13-15)22(3)4/h5-11,13,23H,12H2,1-4H3
InChIKeyXSTGSBXOIOROFD-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.10
Rot. Bonds5

About 4-[1-(4-chlorophenyl)-3-(dimethylamino)prop-1-enyl]-2-(dimethylamino)phenol

4-[1-(4-chlorophenyl)-3-(dimethylamino)prop-1-enyl]-2-(dimethylamino)phenol (PubChem CID 57112922) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-3-(dimethylamino)prop-1-enyl]-2-(dimethylamino)phenol.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-3-(dimethylamino)prop-1-enyl]-2-(dimethylamino)phenol
PubChem CID57112922
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name4-[1-(4-chlorophenyl)-3-(dimethylamino)prop-1-enyl]-2-(dimethylamino)phenol
SMILESCN(C)CC=C(c1ccc(Cl)cc1)c1ccc(O)c(N(C)C)c1
InChIInChI=1S/C19H23ClN2O/c1-21(2)12-11-17(14-5-8-16(20)9-6-14)15-7-10-19(23)18(13-15)22(3)4/h5-11,13,23H,12H2,1-4H3
InChIKeyXSTGSBXOIOROFD-UHFFFAOYSA-N
XLogP4.10
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)-3-(dimethylamino)prop-1-enyl]-2-(dimethylamino)phenol?
The IUPAC name of 4-[1-(4-chlorophenyl)-3-(dimethylamino)prop-1-enyl]-2-(dimethylamino)phenol (CID 57112922) is 4-[1-(4-chlorophenyl)-3-(dimethylamino)prop-1-enyl]-2-(dimethylamino)phenol.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-3-(dimethylamino)prop-1-enyl]-2-(dimethylamino)phenol?
The canonical SMILES for 4-[1-(4-chlorophenyl)-3-(dimethylamino)prop-1-enyl]-2-(dimethylamino)phenol is CN(C)CC=C(c1ccc(Cl)cc1)c1ccc(O)c(N(C)C)c1.
What is the InChIKey of 4-[1-(4-chlorophenyl)-3-(dimethylamino)prop-1-enyl]-2-(dimethylamino)phenol?
The InChIKey is XSTGSBXOIOROFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-21(2)12-11-17(14-5-8-16(20)9-6-14)15-7-10-19(23)18(13-15)22(3)4/h5-11,13,23H,12H2,1-4H3.
What are the key properties of 4-[1-(4-chlorophenyl)-3-(dimethylamino)prop-1-enyl]-2-(dimethylamino)phenol?
4-[1-(4-chlorophenyl)-3-(dimethylamino)prop-1-enyl]-2-(dimethylamino)phenol has a molecular weight of 330.86 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)-3-(dimethylamino)prop-1-enyl]-2-(dimethylamino)phenol is sourced from PubChem (CID 57112922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).