2-bromo-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide

C14H20BrN3O2 — CID 114949762

IUPAC2-bromo-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1N(C)CC1(O)CCOCC1
InChIInChI=1S/C14H20BrN3O2/c1-18(9-14(19)5-7-20-8-6-14)11-4-2-3-10(15)12(11)13(16)17/h2-4,19H,5-9H2,1H3,(H3,16,17)
InChIKeyCWRBCRMESGWPFY-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.71
Rot. Bonds4

About 2-bromo-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide

2-bromo-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide (PubChem CID 114949762) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 2-bromo-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
PubChem CID114949762
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name2-bromo-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1N(C)CC1(O)CCOCC1
InChIInChI=1S/C14H20BrN3O2/c1-18(9-14(19)5-7-20-8-6-14)11-4-2-3-10(15)12(11)13(16)17/h2-4,19H,5-9H2,1H3,(H3,16,17)
InChIKeyCWRBCRMESGWPFY-UHFFFAOYSA-N
XLogP1.71
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-bromo-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide 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-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
CID 114949747
5-bromo-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
CID 114949754
4-[(3-amino-N,2-dimethylanilino)methyl]oxan-4-ol
CID 114947739
4-[(2-amino-3-fluoro-N-methylanilino)methyl]oxan-4-ol
CID 114947799
N'-hydroxy-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
CID 114949677
4-[(2-amino-3-ethoxy-N-methylanilino)methyl]oxan-4-ol
CID 114947773
4-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]oxan-4-ol
CID 114950338
1-[3-bromo-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]phenyl]ethanone
CID 114949944
3-bromo-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzonitrile
CID 114949327
4-[[2-[(1R)-1-hydroxyethyl]-3-methoxy-N-methylanilino]methyl]oxan-4-ol
CID 104985511
2-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114949568
2-[benzyl(ethyl)amino]-6-bromobenzenecarboximidamide
CID 114883608

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide?
The IUPAC name of 2-bromo-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide (CID 114949762) is 2-bromo-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide?
The canonical SMILES for 2-bromo-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1c(Br)cccc1N(C)CC1(O)CCOCC1.
What is the InChIKey of 2-bromo-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide?
The InChIKey is CWRBCRMESGWPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-18(9-14(19)5-7-20-8-6-14)11-4-2-3-10(15)12(11)13(16)17/h2-4,19H,5-9H2,1H3,(H3,16,17).
What are the key properties of 2-bromo-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide?
2-bromo-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide has a molecular weight of 342.24 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide is sourced from PubChem (CID 114949762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).