1-[(2-methanidyl-2-methylpropoxy)methyl]-4-methoxybenzene;zinc;hydrobromide

C13H20BrO2Zn- — CID 175502067

IUPAC1-[(2-methanidyl-2-methylpropoxy)methyl]-4-methoxybenzene;zinc;hydrobromide
SMILESBr.[CH2-]C(C)(C)COCc1ccc(OC)cc1.[Zn]
InChIInChI=1S/C13H19O2.BrH.Zn/c1-13(2,3)10-15-9-11-5-7-12(14-4)8-6-11;;/h5-8H,1,9-10H2,2-4H3;1H;/q-1;;
InChIKeyJUGIPCSMXISXKU-UHFFFAOYSA-N
MW353.60 g/mol
LogP3.65
Rot. Bonds5

About 1-[(2-methanidyl-2-methylpropoxy)methyl]-4-methoxybenzene;zinc;hydrobromide

1-[(2-methanidyl-2-methylpropoxy)methyl]-4-methoxybenzene;zinc;hydrobromide (PubChem CID 175502067) has the molecular formula C13H20BrO2Zn- and a molecular weight of 353.60 g/mol. Its IUPAC name is 1-[(2-methanidyl-2-methylpropoxy)methyl]-4-methoxybenzene;zinc;hydrobromide.

Molecular Properties

Compound Name1-[(2-methanidyl-2-methylpropoxy)methyl]-4-methoxybenzene;zinc;hydrobromide
PubChem CID175502067
Molecular FormulaC13H20BrO2Zn-
Molecular Weight353.60 g/mol
Exact Mass350.99
IUPAC Name1-[(2-methanidyl-2-methylpropoxy)methyl]-4-methoxybenzene;zinc;hydrobromide
SMILESBr.[CH2-]C(C)(C)COCc1ccc(OC)cc1.[Zn]
InChIInChI=1S/C13H19O2.BrH.Zn/c1-13(2,3)10-15-9-11-5-7-12(14-4)8-6-11;;/h5-8H,1,9-10H2,2-4H3;1H;/q-1;;
InChIKeyJUGIPCSMXISXKU-UHFFFAOYSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.60
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-[(2-methanidyl-2-methylpropoxy)methyl]-4-methoxybenzene;zinc;hydrobromide 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-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol
CID 15417178
N-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-amine
CID 79628757
N-tert-butylsulfanyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-imine
CID 174083682
3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropane-1-sulfonamide
CID 64999486
1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 11206354
1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
1-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine
CID 12926478
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
ethyl 5-[(4-methoxyphenyl)methoxy]-4,4-dimethyl-3-oxopentanoate
CID 11034192
2-ethyl-2-[(4-methoxyphenyl)methoxymethyl]butane-1-sulfonamide
CID 65003749
(4-methoxyphenyl)methyl hypobromite
CID 166766888
1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene
CID 66849270

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methanidyl-2-methylpropoxy)methyl]-4-methoxybenzene;zinc;hydrobromide?
The IUPAC name of 1-[(2-methanidyl-2-methylpropoxy)methyl]-4-methoxybenzene;zinc;hydrobromide (CID 175502067) is 1-[(2-methanidyl-2-methylpropoxy)methyl]-4-methoxybenzene;zinc;hydrobromide.
What is the SMILES notation for 1-[(2-methanidyl-2-methylpropoxy)methyl]-4-methoxybenzene;zinc;hydrobromide?
The canonical SMILES for 1-[(2-methanidyl-2-methylpropoxy)methyl]-4-methoxybenzene;zinc;hydrobromide is Br.[CH2-]C(C)(C)COCc1ccc(OC)cc1.[Zn].
What is the InChIKey of 1-[(2-methanidyl-2-methylpropoxy)methyl]-4-methoxybenzene;zinc;hydrobromide?
The InChIKey is JUGIPCSMXISXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19O2.BrH.Zn/c1-13(2,3)10-15-9-11-5-7-12(14-4)8-6-11;;/h5-8H,1,9-10H2,2-4H3;1H;/q-1;;.
What are the key properties of 1-[(2-methanidyl-2-methylpropoxy)methyl]-4-methoxybenzene;zinc;hydrobromide?
1-[(2-methanidyl-2-methylpropoxy)methyl]-4-methoxybenzene;zinc;hydrobromide has a molecular weight of 353.60 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methanidyl-2-methylpropoxy)methyl]-4-methoxybenzene;zinc;hydrobromide is sourced from PubChem (CID 175502067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).