3-[(4-bromophenyl)methyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide

C13H20BrN3O2 — CID 76994018

IUPAC3-[(4-bromophenyl)methyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCOCCN(CCC(N)=NO)Cc1ccc(Br)cc1
InChIInChI=1S/C13H20BrN3O2/c1-19-9-8-17(7-6-13(15)16-18)10-11-2-4-12(14)5-3-11/h2-5,18H,6-10H2,1H3,(H2,15,16)
InChIKeyIQPWYQWHIDOXLC-UHFFFAOYSA-N
MW330.23 g/mol
LogP2.03
Rot. Bonds8

About 3-[(4-bromophenyl)methyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide

3-[(4-bromophenyl)methyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76994018) has the molecular formula C13H20BrN3O2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
PubChem CID76994018
Molecular FormulaC13H20BrN3O2
Molecular Weight330.23 g/mol
Exact Mass329.07
IUPAC Name3-[(4-bromophenyl)methyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCOCCN(CCC(N)=NO)Cc1ccc(Br)cc1
InChIInChI=1S/C13H20BrN3O2/c1-19-9-8-17(7-6-13(15)16-18)10-11-2-4-12(14)5-3-11/h2-5,18H,6-10H2,1H3,(H2,15,16)
InChIKeyIQPWYQWHIDOXLC-UHFFFAOYSA-N
XLogP2.03
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(4-bromophenyl)methyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide 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

N'-hydroxy-3-[2-methoxyethyl(2-thiophen-2-ylethyl)amino]propanimidamide
CID 77005818
4-[(4-bromophenyl)methyl-methylamino]-N'-hydroxybutanimidamide
CID 61415732
N'-hydroxy-3-[2-methoxyethyl(2-phenylsulfanylethyl)amino]propanimidamide
CID 79222130
N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 39149176
3-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]propanethioamide
CID 63285367
N'-hydroxy-3-[2-methoxyethyl(2-methylsulfanylethyl)amino]propanimidamide
CID 104863502
3-[(4-fluorophenyl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917283
5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide
CID 94230162
N'-hydroxy-3-[N-(2-methoxyethyl)anilino]propanimidamide
CID 24710523
N'-hydroxy-3-[2-methoxyethyl(2-methylsulfonylethyl)amino]propanimidamide
CID 76993993
3-[2-(4-bromophenoxy)ethyl-methylamino]-N'-hydroxypropanimidamide
CID 94231255
2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide
CID 60661910

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(4-bromophenyl)methyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide (CID 76994018) is 3-[(4-bromophenyl)methyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(4-bromophenyl)methyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(4-bromophenyl)methyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide is COCCN(CCC(N)=NO)Cc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is IQPWYQWHIDOXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2/c1-19-9-8-17(7-6-13(15)16-18)10-11-2-4-12(14)5-3-11/h2-5,18H,6-10H2,1H3,(H2,15,16).
What are the key properties of 3-[(4-bromophenyl)methyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
3-[(4-bromophenyl)methyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 330.23 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76994018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).