3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide

C14H22BrN3O2 — CID 76910382

IUPAC3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(Cc1cc(Br)ccc1OC)CC(C)C(N)=NO
InChIInChI=1S/C14H22BrN3O2/c1-4-18(8-10(2)14(16)17-19)9-11-7-12(15)5-6-13(11)20-3/h5-7,10,19H,4,8-9H2,1-3H3,(H2,16,17)
InChIKeyUOZSVWIVUKSIEI-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.66
Rot. Bonds7

About 3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide

3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 76910382) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is 3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID76910382
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC Name3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(Cc1cc(Br)ccc1OC)CC(C)C(N)=NO
InChIInChI=1S/C14H22BrN3O2/c1-4-18(8-10(2)14(16)17-19)9-11-7-12(15)5-6-13(11)20-3/h5-7,10,19H,4,8-9H2,1-3H3,(H2,16,17)
InChIKeyUOZSVWIVUKSIEI-UHFFFAOYSA-N
XLogP2.66
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.66
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'}

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetamide
CID 54942779
3-[(4-bromothiophen-2-yl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76919064
N-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107870844
3-[2-(4-bromophenoxy)ethyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910381
3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]propan-1-ol
CID 115666249
2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 63065906
2-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 47117609
N-[(5-bromo-2-methoxyphenyl)methyl]-N-propylpropan-1-amine
CID 55026913
2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 30983525
3-[(2-chloro-3-fluorophenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 112652360
3-[(4-tert-butylphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910333
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide
CID 76910736

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide (CID 76910382) is 3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide is CCN(Cc1cc(Br)ccc1OC)CC(C)C(N)=NO.
What is the InChIKey of 3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is UOZSVWIVUKSIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-4-18(8-10(2)14(16)17-19)9-11-7-12(15)5-6-13(11)20-3/h5-7,10,19H,4,8-9H2,1-3H3,(H2,16,17).
What are the key properties of 3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide?
3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 344.25 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 76910382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).