5-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide

C15H22BrN3O — CID 114892966

IUPAC5-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1N(CCOC)C(C)C1CC1
InChIInChI=1S/C15H22BrN3O/c1-10(11-3-4-11)19(7-8-20-2)14-6-5-12(16)9-13(14)15(17)18/h5-6,9-11H,3-4,7-8H2,1-2H3,(H3,17,18)
InChIKeyYXZFSGBPHIIJJS-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.98
Rot. Bonds7

About 5-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide

5-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide (PubChem CID 114892966) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 5-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide
PubChem CID114892966
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name5-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1N(CCOC)C(C)C1CC1
InChIInChI=1S/C15H22BrN3O/c1-10(11-3-4-11)19(7-8-20-2)14-6-5-12(16)9-13(14)15(17)18/h5-6,9-11H,3-4,7-8H2,1-2H3,(H3,17,18)
InChIKeyYXZFSGBPHIIJJS-UHFFFAOYSA-N
XLogP2.98
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.98
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'}

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Related Compounds

2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide
CID 55004124
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-4-methoxybenzenecarboximidamide
CID 81299918
4-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarbothioamide
CID 114903023
2-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carboximidamide
CID 55004075
4-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzonitrile
CID 114901661
2-[2-methoxyethyl(propan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 82939570
1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-4-methylbenzene-1,2-diamine
CID 55004687
2-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 114879593
2-[2-methoxyethyl(pentan-3-yl)amino]-5-methylbenzenecarboximidamide
CID 107930430
2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63368929
5-bromo-2-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 114893629
4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzamide
CID 63356402

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide?
The IUPAC name of 5-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide (CID 114892966) is 5-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide?
The canonical SMILES for 5-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1cc(Br)ccc1N(CCOC)C(C)C1CC1.
What is the InChIKey of 5-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide?
The InChIKey is YXZFSGBPHIIJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-10(11-3-4-11)19(7-8-20-2)14-6-5-12(16)9-13(14)15(17)18/h5-6,9-11H,3-4,7-8H2,1-2H3,(H3,17,18).
What are the key properties of 5-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide?
5-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide has a molecular weight of 340.27 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 114892966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).