N-amino-3-bromo-N'-ethyl-4-methoxybenzenecarboximidamide

C10H14BrN3O — CID 61361476

IUPACN-amino-3-bromo-N'-ethyl-4-methoxybenzenecarboximidamide
SMILESCC/N=C(\NN)c1ccc(OC)c(Br)c1
InChIInChI=1S/C10H14BrN3O/c1-3-13-10(14-12)7-4-5-9(15-2)8(11)6-7/h4-6H,3,12H2,1-2H3,(H,13,14)
InChIKeyHSFPBEWNWRDVKI-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.69
Rot. Bonds3

About N-amino-3-bromo-N'-ethyl-4-methoxybenzenecarboximidamide

N-amino-3-bromo-N'-ethyl-4-methoxybenzenecarboximidamide (PubChem CID 61361476) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is N-amino-3-bromo-N'-ethyl-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-3-bromo-N'-ethyl-4-methoxybenzenecarboximidamide
PubChem CID61361476
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC NameN-amino-3-bromo-N'-ethyl-4-methoxybenzenecarboximidamide
SMILESCC/N=C(\NN)c1ccc(OC)c(Br)c1
InChIInChI=1S/C10H14BrN3O/c1-3-13-10(14-12)7-4-5-9(15-2)8(11)6-7/h4-6H,3,12H2,1-2H3,(H,13,14)
InChIKeyHSFPBEWNWRDVKI-UHFFFAOYSA-N
XLogP1.69
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
2-(3-bromo-4-methoxyphenyl)-N-methyl-2-oxoacetamide
CID 82123910
3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide
CID 79672966
2-(3-bromo-4-methoxyphenyl)-2-oxoacetamide
CID 116924423
2-bromo-1-(3-bromo-4-methoxyphenyl)ethanone
CID 2756849
2-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]guanidine
CID 9058052
N-amino-4-bromo-3-chloro-N'-propylbenzenecarboximidamide
CID 81307492
N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide
CID 112550861
4-(3-bromo-4-methoxyphenyl)-N-methyl-4-oxobutanamide
CID 94311085
3-bromo-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-methoxybenzamide
CID 135560290
3-bromo-4-(4-ethyl-2-methoxyphenoxy)benzenecarbothioamide
CID 107664923

Frequently Asked Questions

What is the IUPAC name of N-amino-3-bromo-N'-ethyl-4-methoxybenzenecarboximidamide?
The IUPAC name of N-amino-3-bromo-N'-ethyl-4-methoxybenzenecarboximidamide (CID 61361476) is N-amino-3-bromo-N'-ethyl-4-methoxybenzenecarboximidamide.
What is the SMILES notation for N-amino-3-bromo-N'-ethyl-4-methoxybenzenecarboximidamide?
The canonical SMILES for N-amino-3-bromo-N'-ethyl-4-methoxybenzenecarboximidamide is CC/N=C(\NN)c1ccc(OC)c(Br)c1.
What is the InChIKey of N-amino-3-bromo-N'-ethyl-4-methoxybenzenecarboximidamide?
The InChIKey is HSFPBEWNWRDVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-3-13-10(14-12)7-4-5-9(15-2)8(11)6-7/h4-6H,3,12H2,1-2H3,(H,13,14).
What are the key properties of N-amino-3-bromo-N'-ethyl-4-methoxybenzenecarboximidamide?
N-amino-3-bromo-N'-ethyl-4-methoxybenzenecarboximidamide has a molecular weight of 272.15 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-bromo-N'-ethyl-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 61361476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).