CID 168930805

C11H15B2NO2 — CID 168930805

IUPAC—
SMILES[B]C([B])(CN)c1cc(OC)c(C)cc1OC
InChIInChI=1S/C11H15B2NO2/c1-7-4-10(16-3)8(5-9(7)15-2)11(12,13)6-14/h4-5H,6,14H2,1-3H3
InChIKeyVMRNFDOBGFELRI-UHFFFAOYSA-N
MW214.87 g/mol
LogP0.46
Rot. Bonds4

About CID 168930805

CID 168930805 (PubChem CID 168930805) has the molecular formula C11H15B2NO2 and a molecular weight of 214.87 g/mol.

Molecular Properties

Compound NameCID 168930805
PubChem CID168930805
Molecular FormulaC11H15B2NO2
Molecular Weight214.87 g/mol
Exact Mass215.13
IUPAC Name—
SMILES[B]C([B])(CN)c1cc(OC)c(C)cc1OC
InChIInChI=1S/C11H15B2NO2/c1-7-4-10(16-3)8(5-9(7)15-2)11(12,13)6-14/h4-5H,6,14H2,1-3H3
InChIKeyVMRNFDOBGFELRI-UHFFFAOYSA-N
XLogP0.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.87
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 168930805 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-methoxy-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 82287187
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane
CID 145081658
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
1,2-ditert-butyl-4-methoxy-5-methylbenzene
CID 90688741
CID 162430150
CID 162430150
2-methyl-2-(2,4,5-trimethoxyphenyl)butan-1-amine
CID 112518955
1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325
[2-(2,5-dimethoxy-4-methylphenyl)-2-methylpropyl]urea
CID 115168800
2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine
CID 84774491
3-N-(2,5-dimethoxy-4-methylphenyl)-3-methylbutane-1,3-diamine
CID 115134457
2-(2,4,5-trimethoxyphenyl)propan-2-amine
CID 15102791

Frequently Asked Questions

What is the IUPAC name of CID 168930805?
The IUPAC name of CID 168930805 (CID 168930805) is not available.
What is the SMILES notation for CID 168930805?
The canonical SMILES for CID 168930805 is [B]C([B])(CN)c1cc(OC)c(C)cc1OC.
What is the InChIKey of CID 168930805?
The InChIKey is VMRNFDOBGFELRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15B2NO2/c1-7-4-10(16-3)8(5-9(7)15-2)11(12,13)6-14/h4-5H,6,14H2,1-3H3.
What are the key properties of CID 168930805?
CID 168930805 has a molecular weight of 214.87 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168930805 is sourced from PubChem (CID 168930805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).