4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride

C15H18ClN3 — CID 82240686

IUPAC4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(N(C)Cc2ccccc2)cc1
InChIInChI=1S/C15H17N3.ClH/c1-18(11-12-5-3-2-4-6-12)14-9-7-13(8-10-14)15(16)17;/h2-10H,11H2,1H3,(H3,16,17);1H
InChIKeyXJFMZOJFYMOKIM-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.03
Rot. Bonds4

About 4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride

4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride (PubChem CID 82240686) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride
PubChem CID82240686
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(N(C)Cc2ccccc2)cc1
InChIInChI=1S/C15H17N3.ClH/c1-18(11-12-5-3-2-4-6-12)14-9-7-13(8-10-14)15(16)17;/h2-10H,11H2,1H3,(H3,16,17);1H
InChIKeyXJFMZOJFYMOKIM-UHFFFAOYSA-N
XLogP3.03
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.03
H-Bond Donors ≤ 52
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

4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 61417684
3-[3-[(N-methylanilino)methyl]phenyl]benzenecarboximidamide
CID 59894348
4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide
CID 122182388
4-[(2,2-difluoro-2-phenylethyl)-methylamino]benzenecarboximidamide
CID 116789572
4-[(5-bromo-3-pyridinyl)methyl-methylamino]benzenecarboximidamide
CID 104797731
3-[[methyl(pyridin-4-yl)amino]methyl]benzenecarboximidamide
CID 62968427
4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63693855
4-[(2,5-dichlorophenyl)methyl-methylamino]benzenecarboximidamide
CID 65317772
4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide
CID 63981703
4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]benzenecarboximidamide
CID 64773091
7-[benzyl(methyl)amino]-2-oxochromene-3-carboximidamide
CID 122177614
N-benzyl-N-methyl-4-phenylaniline
CID 23459365

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride?
The IUPAC name of 4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride (CID 82240686) is 4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(N(C)Cc2ccccc2)cc1.
What is the InChIKey of 4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride?
The InChIKey is XJFMZOJFYMOKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3.ClH/c1-18(11-12-5-3-2-4-6-12)14-9-7-13(8-10-14)15(16)17;/h2-10H,11H2,1H3,(H3,16,17);1H.
What are the key properties of 4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride?
4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 82240686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).