2-[1-[5-chloro-2-(dimethylamino)anilino]ethyl]phenol

C16H19ClN2O — CID 43741167

IUPAC2-[1-[5-chloro-2-(dimethylamino)anilino]ethyl]phenol
SMILESCC(Nc1cc(Cl)ccc1N(C)C)c1ccccc1O
InChIInChI=1S/C16H19ClN2O/c1-11(13-6-4-5-7-16(13)20)18-14-10-12(17)8-9-15(14)19(2)3/h4-11,18,20H,1-3H3
InChIKeyDNYHZGSLUAVEAB-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.28
Rot. Bonds4

About 2-[1-[5-chloro-2-(dimethylamino)anilino]ethyl]phenol

2-[1-[5-chloro-2-(dimethylamino)anilino]ethyl]phenol (PubChem CID 43741167) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-[1-[5-chloro-2-(dimethylamino)anilino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[5-chloro-2-(dimethylamino)anilino]ethyl]phenol
PubChem CID43741167
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name2-[1-[5-chloro-2-(dimethylamino)anilino]ethyl]phenol
SMILESCC(Nc1cc(Cl)ccc1N(C)C)c1ccccc1O
InChIInChI=1S/C16H19ClN2O/c1-11(13-6-4-5-7-16(13)20)18-14-10-12(17)8-9-15(14)19(2)3/h4-11,18,20H,1-3H3
InChIKeyDNYHZGSLUAVEAB-UHFFFAOYSA-N
XLogP4.28
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(5-chloro-2-methylanilino)ethyl]phenol
CID 43189458
2-[1-(4-chloro-2-fluoroanilino)ethyl]phenol
CID 43716635
4-chloro-2-N-[1-(2,5-dimethylphenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43741051
4-chloro-2-N-[1-(2,4-dibromophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 60782071
4-chloro-2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43790062
4-chloro-1-N,1-N-dimethyl-2-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
CID 43741094
4-chloro-1-N,1-N-dimethyl-2-N-[1-(3-methylthiophen-2-yl)ethyl]benzene-1,2-diamine
CID 63992277
N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide
CID 112687413
2-[1-(5-chloro-2-fluoroanilino)ethyl]benzene-1,4-diol
CID 43438338
4-chloro-2-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43741030
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
CID 43700084
2-[1-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol
CID 107710730

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-chloro-2-(dimethylamino)anilino]ethyl]phenol?
The IUPAC name of 2-[1-[5-chloro-2-(dimethylamino)anilino]ethyl]phenol (CID 43741167) is 2-[1-[5-chloro-2-(dimethylamino)anilino]ethyl]phenol.
What is the SMILES notation for 2-[1-[5-chloro-2-(dimethylamino)anilino]ethyl]phenol?
The canonical SMILES for 2-[1-[5-chloro-2-(dimethylamino)anilino]ethyl]phenol is CC(Nc1cc(Cl)ccc1N(C)C)c1ccccc1O.
What is the InChIKey of 2-[1-[5-chloro-2-(dimethylamino)anilino]ethyl]phenol?
The InChIKey is DNYHZGSLUAVEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11(13-6-4-5-7-16(13)20)18-14-10-12(17)8-9-15(14)19(2)3/h4-11,18,20H,1-3H3.
What are the key properties of 2-[1-[5-chloro-2-(dimethylamino)anilino]ethyl]phenol?
2-[1-[5-chloro-2-(dimethylamino)anilino]ethyl]phenol has a molecular weight of 290.79 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-chloro-2-(dimethylamino)anilino]ethyl]phenol is sourced from PubChem (CID 43741167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).