2-[1-[(3-bromophenyl)methoxymethyl]cyclopropyl]-N'-hydroxyethanimidamide

C13H17BrN2O2 — CID 82824129

IUPAC2-[1-[(3-bromophenyl)methoxymethyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESN/C(CC1(COCc2cccc(Br)c2)CC1)=N/O
InChIInChI=1S/C13H17BrN2O2/c14-11-3-1-2-10(6-11)8-18-9-13(4-5-13)7-12(15)16-17/h1-3,6,17H,4-5,7-9H2,(H2,15,16)
InChIKeyJZYUDXNIYUKOPK-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.88
Rot. Bonds6

About 2-[1-[(3-bromophenyl)methoxymethyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[(3-bromophenyl)methoxymethyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 82824129) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-[1-[(3-bromophenyl)methoxymethyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[(3-bromophenyl)methoxymethyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID82824129
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name2-[1-[(3-bromophenyl)methoxymethyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESN/C(CC1(COCc2cccc(Br)c2)CC1)=N/O
InChIInChI=1S/C13H17BrN2O2/c14-11-3-1-2-10(6-11)8-18-9-13(4-5-13)7-12(15)16-17/h1-3,6,17H,4-5,7-9H2,(H2,15,16)
InChIKeyJZYUDXNIYUKOPK-UHFFFAOYSA-N
XLogP2.88
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide
CID 77070744
2-[1-[(5-bromo-2-fluorophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 114673616
2-[(3-bromophenyl)methoxy]ethanethioamide
CID 82827061
2-[1-[(4-bromo-3,5-dimethylphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 107724638
[3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine
CID 82827520
2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid
CID 65496133
4-[(3-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 82806150
2-[1-[(5-bromo-2-chloroanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070556
2-[(3-chlorophenyl)methoxy]-N'-hydroxyethanimidamide
CID 77056910
2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24709005
2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071327
N'-hydroxy-2-[1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanimidamide
CID 77071578

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-bromophenyl)methoxymethyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[(3-bromophenyl)methoxymethyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 82824129) is 2-[1-[(3-bromophenyl)methoxymethyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[(3-bromophenyl)methoxymethyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[(3-bromophenyl)methoxymethyl]cyclopropyl]-N'-hydroxyethanimidamide is N/C(CC1(COCc2cccc(Br)c2)CC1)=N/O.
What is the InChIKey of 2-[1-[(3-bromophenyl)methoxymethyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is JZYUDXNIYUKOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c14-11-3-1-2-10(6-11)8-18-9-13(4-5-13)7-12(15)16-17/h1-3,6,17H,4-5,7-9H2,(H2,15,16).
What are the key properties of 2-[1-[(3-bromophenyl)methoxymethyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[(3-bromophenyl)methoxymethyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 313.19 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-bromophenyl)methoxymethyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 82824129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).