butyl-[(3,5-dichloro-2-hydroxyphenyl)methyl]-methylazanium

C12H18Cl2NO+ — CID 7014283

IUPACbutyl-[(3,5-dichloro-2-hydroxyphenyl)methyl]-methylazanium
SMILESCCCC[NH+](C)Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H17Cl2NO/c1-3-4-5-15(2)8-9-6-10(13)7-11(14)12(9)16/h6-7,16H,3-5,8H2,1-2H3/p+1
InChIKeyGYWWYEJEUIADAF-UHFFFAOYSA-O
MW263.19 g/mol
LogP2.51
Rot. Bonds5

About butyl-[(3,5-dichloro-2-hydroxyphenyl)methyl]-methylazanium

butyl-[(3,5-dichloro-2-hydroxyphenyl)methyl]-methylazanium (PubChem CID 7014283) has the molecular formula C12H18Cl2NO+ and a molecular weight of 263.19 g/mol. Its IUPAC name is butyl-[(3,5-dichloro-2-hydroxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Namebutyl-[(3,5-dichloro-2-hydroxyphenyl)methyl]-methylazanium
PubChem CID7014283
Molecular FormulaC12H18Cl2NO+
Molecular Weight263.19 g/mol
Exact Mass262.08
IUPAC Namebutyl-[(3,5-dichloro-2-hydroxyphenyl)methyl]-methylazanium
SMILESCCCC[NH+](C)Cc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C12H17Cl2NO/c1-3-4-5-15(2)8-9-6-10(13)7-11(14)12(9)16/h6-7,16H,3-5,8H2,1-2H3/p+1
InChIKeyGYWWYEJEUIADAF-UHFFFAOYSA-O
XLogP2.51
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze butyl-[(3,5-dichloro-2-hydroxyphenyl)methyl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-6-[2-(methylamino)ethyl]phenol
CID 83889183
N-(3,5-dichloro-2-hydroxyphenyl)pentanamide
CID 103891119
2,4-dichloro-6-[(ethoxyamino)methyl]phenol
CID 82710474
2,4-dichloro-6-[[(1-methylcyclopropyl)amino]methyl]phenol
CID 115635121
2,4-dichloro-6-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]phenol
CID 103965532
N-(3,5-dichloro-2-hydroxyphenyl)decanamide
CID 107675883
2-(3,5-dichloro-2-hydroxyphenyl)acetic acid
CID 70463293
2,4-dichloro-6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
CID 80551519
2,4-dichloro-6-[(2-ethoxypropylamino)methyl]phenol
CID 115655729
2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol
CID 62693693
2,4-dichloro-6-[(1-hydroxybutan-2-ylamino)methyl]phenol
CID 43207158
2,4-dichloro-6-(3-methylpentyl)phenol
CID 143655603

Frequently Asked Questions

What is the IUPAC name of butyl-[(3,5-dichloro-2-hydroxyphenyl)methyl]-methylazanium?
The IUPAC name of butyl-[(3,5-dichloro-2-hydroxyphenyl)methyl]-methylazanium (CID 7014283) is butyl-[(3,5-dichloro-2-hydroxyphenyl)methyl]-methylazanium.
What is the SMILES notation for butyl-[(3,5-dichloro-2-hydroxyphenyl)methyl]-methylazanium?
The canonical SMILES for butyl-[(3,5-dichloro-2-hydroxyphenyl)methyl]-methylazanium is CCCC[NH+](C)Cc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of butyl-[(3,5-dichloro-2-hydroxyphenyl)methyl]-methylazanium?
The InChIKey is GYWWYEJEUIADAF-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H17Cl2NO/c1-3-4-5-15(2)8-9-6-10(13)7-11(14)12(9)16/h6-7,16H,3-5,8H2,1-2H3/p+1.
What are the key properties of butyl-[(3,5-dichloro-2-hydroxyphenyl)methyl]-methylazanium?
butyl-[(3,5-dichloro-2-hydroxyphenyl)methyl]-methylazanium has a molecular weight of 263.19 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[(3,5-dichloro-2-hydroxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 7014283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).