5-[1-(N,3-dimethylanilino)ethyl]benzene-1,3-diol

C16H19NO2 — CID 107707977

IUPAC5-[1-(N,3-dimethylanilino)ethyl]benzene-1,3-diol
SMILESCc1cccc(N(C)C(C)c2cc(O)cc(O)c2)c1
InChIInChI=1S/C16H19NO2/c1-11-5-4-6-14(7-11)17(3)12(2)13-8-15(18)10-16(19)9-13/h4-10,12,18-19H,1-3H3
InChIKeyXEQKZXZIYIANQW-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.60
Rot. Bonds3

About 5-[1-(N,3-dimethylanilino)ethyl]benzene-1,3-diol

5-[1-(N,3-dimethylanilino)ethyl]benzene-1,3-diol (PubChem CID 107707977) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 5-[1-(N,3-dimethylanilino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-(N,3-dimethylanilino)ethyl]benzene-1,3-diol
PubChem CID107707977
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name5-[1-(N,3-dimethylanilino)ethyl]benzene-1,3-diol
SMILESCc1cccc(N(C)C(C)c2cc(O)cc(O)c2)c1
InChIInChI=1S/C16H19NO2/c1-11-5-4-6-14(7-11)17(3)12(2)13-8-15(18)10-16(19)9-13/h4-10,12,18-19H,1-3H3
InChIKeyXEQKZXZIYIANQW-UHFFFAOYSA-N
XLogP3.60
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(N,3-dimethylanilino)ethyl]benzene-1,3-diol
CID 107711796
2-[1-(N,3-dimethylanilino)ethyl]-4-methylphenol
CID 82978827
3-[1-(N,4-dimethylanilino)ethyl]phenol
CID 82978141
3-(N,3-dimethylanilino)butanoic acid
CID 82112997
CID 145278615
CID 145278615
CID 138691650
CID 138691650
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
CID 70331685
CID 70331685
3-[(1R)-1-(dimethylamino)ethyl]phenol
CID 10313270
2-[1-(N-ethyl-3-methylanilino)ethyl]phenol
CID 82981948
N-(2-chloroethyl)-3-methyl-N-(1-phenylethyl)aniline
CID 22762419
2-[N-(1-carboxyethyl)-3-methylanilino]propanoic acid
CID 18692796

Frequently Asked Questions

What is the IUPAC name of 5-[1-(N,3-dimethylanilino)ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-(N,3-dimethylanilino)ethyl]benzene-1,3-diol (CID 107707977) is 5-[1-(N,3-dimethylanilino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-(N,3-dimethylanilino)ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-(N,3-dimethylanilino)ethyl]benzene-1,3-diol is Cc1cccc(N(C)C(C)c2cc(O)cc(O)c2)c1.
What is the InChIKey of 5-[1-(N,3-dimethylanilino)ethyl]benzene-1,3-diol?
The InChIKey is XEQKZXZIYIANQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-5-4-6-14(7-11)17(3)12(2)13-8-15(18)10-16(19)9-13/h4-10,12,18-19H,1-3H3.
What are the key properties of 5-[1-(N,3-dimethylanilino)ethyl]benzene-1,3-diol?
5-[1-(N,3-dimethylanilino)ethyl]benzene-1,3-diol has a molecular weight of 257.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(N,3-dimethylanilino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 107707977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).