3-[2-(3-bromophenoxy)ethyl-propan-2-ylamino]-N'-hydroxypropanimidamide

C14H22BrN3O2 — CID 76911367

IUPAC3-[2-(3-bromophenoxy)ethyl-propan-2-ylamino]-N'-hydroxypropanimidamide
SMILESCC(C)N(CCOc1cccc(Br)c1)CCC(N)=NO
InChIInChI=1S/C14H22BrN3O2/c1-11(2)18(7-6-14(16)17-19)8-9-20-13-5-3-4-12(15)10-13/h3-5,10-11,19H,6-9H2,1-2H3,(H2,16,17)
InChIKeyPXLIZCRQLIMOAB-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.67
Rot. Bonds8

About 3-[2-(3-bromophenoxy)ethyl-propan-2-ylamino]-N'-hydroxypropanimidamide

3-[2-(3-bromophenoxy)ethyl-propan-2-ylamino]-N'-hydroxypropanimidamide (PubChem CID 76911367) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is 3-[2-(3-bromophenoxy)ethyl-propan-2-ylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[2-(3-bromophenoxy)ethyl-propan-2-ylamino]-N'-hydroxypropanimidamide
PubChem CID76911367
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC Name3-[2-(3-bromophenoxy)ethyl-propan-2-ylamino]-N'-hydroxypropanimidamide
SMILESCC(C)N(CCOc1cccc(Br)c1)CCC(N)=NO
InChIInChI=1S/C14H22BrN3O2/c1-11(2)18(7-6-14(16)17-19)8-9-20-13-5-3-4-12(15)10-13/h3-5,10-11,19H,6-9H2,1-2H3,(H2,16,17)
InChIKeyPXLIZCRQLIMOAB-UHFFFAOYSA-N
XLogP2.67
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.67
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-[2-(3-bromophenoxy)ethyl-propan-2-ylamino]-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

3-[2-(3-bromophenoxy)ethyl-methylamino]-N'-hydroxypropanimidamide
CID 54971448
3-[2-(4-bromophenoxy)ethyl-methylamino]-N'-hydroxypropanimidamide
CID 94231255
1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol
CID 55061080
N'-hydroxy-3-[2-methylpropyl(2-phenoxyethyl)amino]propanimidamide
CID 76914449
N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propan-2-ylamino]ethanimidamide
CID 77073414
2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol
CID 60691972
N'-hydroxy-3-[2-(4-methoxyphenyl)ethyl-propan-2-ylamino]propanimidamide
CID 77069695
2-[3-(3-bromophenoxy)propanoyl-propan-2-ylamino]acetic acid
CID 60832392
N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylpentan-2-amine
CID 63457662
N'-hydroxy-3-[3-phenylpropyl(propan-2-yl)amino]propanimidamide
CID 54998197
4-(3-bromophenoxy)butanethioamide
CID 24706403
3-(3-tert-butylphenoxy)-N'-hydroxypropanimidamide
CID 43169674

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromophenoxy)ethyl-propan-2-ylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[2-(3-bromophenoxy)ethyl-propan-2-ylamino]-N'-hydroxypropanimidamide (CID 76911367) is 3-[2-(3-bromophenoxy)ethyl-propan-2-ylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[2-(3-bromophenoxy)ethyl-propan-2-ylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[2-(3-bromophenoxy)ethyl-propan-2-ylamino]-N'-hydroxypropanimidamide is CC(C)N(CCOc1cccc(Br)c1)CCC(N)=NO.
What is the InChIKey of 3-[2-(3-bromophenoxy)ethyl-propan-2-ylamino]-N'-hydroxypropanimidamide?
The InChIKey is PXLIZCRQLIMOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-11(2)18(7-6-14(16)17-19)8-9-20-13-5-3-4-12(15)10-13/h3-5,10-11,19H,6-9H2,1-2H3,(H2,16,17).
What are the key properties of 3-[2-(3-bromophenoxy)ethyl-propan-2-ylamino]-N'-hydroxypropanimidamide?
3-[2-(3-bromophenoxy)ethyl-propan-2-ylamino]-N'-hydroxypropanimidamide has a molecular weight of 344.25 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromophenoxy)ethyl-propan-2-ylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76911367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).