N-(5-bromo-2-methoxyphenyl)-N'-cyclopropylmethanimidamide

C11H13BrN2O — CID 22663369

IUPACN-(5-bromo-2-methoxyphenyl)-N'-cyclopropylmethanimidamide
SMILESCOc1ccc(Br)cc1N/C=N/C1CC1
InChIInChI=1S/C11H13BrN2O/c1-15-11-5-2-8(12)6-10(11)14-7-13-9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,13,14)
InChIKeyVHXCZNGKSFBZAT-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.06
Rot. Bonds4

About N-(5-bromo-2-methoxyphenyl)-N'-cyclopropylmethanimidamide

N-(5-bromo-2-methoxyphenyl)-N'-cyclopropylmethanimidamide (PubChem CID 22663369) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-N'-cyclopropylmethanimidamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-N'-cyclopropylmethanimidamide
PubChem CID22663369
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC NameN-(5-bromo-2-methoxyphenyl)-N'-cyclopropylmethanimidamide
SMILESCOc1ccc(Br)cc1N/C=N/C1CC1
InChIInChI=1S/C11H13BrN2O/c1-15-11-5-2-8(12)6-10(11)14-7-13-9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,13,14)
InChIKeyVHXCZNGKSFBZAT-UHFFFAOYSA-N
XLogP3.06
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(cyclopropyliminomethylamino)-4-methoxybenzoate
CID 54333094
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6-bromo-N-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627434
5-bromo-N-(3,4-dimethylcyclohexyl)-2-methoxyaniline
CID 64744839
N-(5-bromo-2-methoxyphenyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115904126
5-bromo-2-methoxy-N-(4-propylcyclohexyl)aniline
CID 63455703
N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
CID 65018183
N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine
CID 115226503
N-(5-bromo-2-methoxyphenyl)-2-cyclobutylethanesulfonamide
CID 112746951
5-bromo-2-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758489
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CID 61060558

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-N'-cyclopropylmethanimidamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-N'-cyclopropylmethanimidamide (CID 22663369) is N-(5-bromo-2-methoxyphenyl)-N'-cyclopropylmethanimidamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-N'-cyclopropylmethanimidamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-N'-cyclopropylmethanimidamide is COc1ccc(Br)cc1N/C=N/C1CC1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-N'-cyclopropylmethanimidamide?
The InChIKey is VHXCZNGKSFBZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-15-11-5-2-8(12)6-10(11)14-7-13-9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,13,14).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-N'-cyclopropylmethanimidamide?
N-(5-bromo-2-methoxyphenyl)-N'-cyclopropylmethanimidamide has a molecular weight of 269.14 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-N'-cyclopropylmethanimidamide is sourced from PubChem (CID 22663369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).