2-(4-amino-2,6-dichloro-N-propylanilino)ethanol

C11H16Cl2N2O — CID 106890073

IUPAC2-(4-amino-2,6-dichloro-N-propylanilino)ethanol
SMILESCCCN(CCO)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H16Cl2N2O/c1-2-3-15(4-5-16)11-9(12)6-8(14)7-10(11)13/h6-7,16H,2-5,14H2,1H3
InChIKeyVGSQTAGRBKBKCD-UHFFFAOYSA-N
MW263.17 g/mol
LogP2.78
Rot. Bonds5

About 2-(4-amino-2,6-dichloro-N-propylanilino)ethanol

2-(4-amino-2,6-dichloro-N-propylanilino)ethanol (PubChem CID 106890073) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is 2-(4-amino-2,6-dichloro-N-propylanilino)ethanol.

Molecular Properties

Compound Name2-(4-amino-2,6-dichloro-N-propylanilino)ethanol
PubChem CID106890073
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Name2-(4-amino-2,6-dichloro-N-propylanilino)ethanol
SMILESCCCN(CCO)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H16Cl2N2O/c1-2-3-15(4-5-16)11-9(12)6-8(14)7-10(11)13/h6-7,16H,2-5,14H2,1H3
InChIKeyVGSQTAGRBKBKCD-UHFFFAOYSA-N
XLogP2.78
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-chloro-2-[ethyl(2-hydroxyethyl)amino]benzamide
CID 107194374
2,6-dichloro-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine
CID 106890000
2-(4-amino-5-chloro-2-methyl-N-propylanilino)ethanol
CID 115554676
ethyl 5-amino-3-chloro-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzoate
CID 107196691
2-(3-amino-5-ethoxy-N-propylanilino)ethanol
CID 80730766
2-(2,3,4,5,6-pentafluoro-N-propylanilino)ethanol
CID 61425430
2-[2-amino-6-chloro-N-(2-hydroxyethyl)anilino]ethanol
CID 61243728
2,6-dichloro-1-N-[2-(dimethylamino)ethyl]-1-N-(2-methylpropyl)benzene-1,4-diamine
CID 106890203
2-(4-amino-2,6-dichloro-N-methylanilino)-2-methylpropan-1-ol
CID 106890781
(1S)-1-[3-chloro-4-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 55184297
2-[(6-amino-2-methylpyrimidin-4-yl)-propylamino]ethanol
CID 80796436
2-(2-amino-4-bromo-N-propylanilino)ethanol
CID 61424928

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-dichloro-N-propylanilino)ethanol?
The IUPAC name of 2-(4-amino-2,6-dichloro-N-propylanilino)ethanol (CID 106890073) is 2-(4-amino-2,6-dichloro-N-propylanilino)ethanol.
What is the SMILES notation for 2-(4-amino-2,6-dichloro-N-propylanilino)ethanol?
The canonical SMILES for 2-(4-amino-2,6-dichloro-N-propylanilino)ethanol is CCCN(CCO)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 2-(4-amino-2,6-dichloro-N-propylanilino)ethanol?
The InChIKey is VGSQTAGRBKBKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O/c1-2-3-15(4-5-16)11-9(12)6-8(14)7-10(11)13/h6-7,16H,2-5,14H2,1H3.
What are the key properties of 2-(4-amino-2,6-dichloro-N-propylanilino)ethanol?
2-(4-amino-2,6-dichloro-N-propylanilino)ethanol has a molecular weight of 263.17 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-dichloro-N-propylanilino)ethanol is sourced from PubChem (CID 106890073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).