3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide

C17H21N3 — CID 62971701

IUPAC3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)Cc2cc(C)cc(C)c2)c1
InChIInChI=1S/C17H21N3/c1-12-7-13(2)9-14(8-12)11-20(3)16-6-4-5-15(10-16)17(18)19/h4-10H,11H2,1-3H3,(H3,18,19)
InChIKeyGYGQJMKTNNHUEX-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.22
Rot. Bonds4

About 3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide

3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide (PubChem CID 62971701) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide
PubChem CID62971701
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)Cc2cc(C)cc(C)c2)c1
InChIInChI=1S/C17H21N3/c1-12-7-13(2)9-14(8-12)11-20(3)16-6-4-5-15(10-16)17(18)19/h4-10H,11H2,1-3H3,(H3,18,19)
InChIKeyGYGQJMKTNNHUEX-UHFFFAOYSA-N
XLogP3.22
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.22
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

3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide
CID 62969953
3-[3-[(N-methylanilino)methyl]phenyl]benzenecarboximidamide
CID 59894348
3-[methyl(propyl)amino]benzenecarboximidamide
CID 62970999
3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide
CID 80696188
3-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 62971177
3-[[methyl(pyridin-4-yl)amino]methyl]benzenecarboximidamide
CID 62968427
3-[(2,4-difluorophenyl)methyl-methylamino]benzenecarboximidamide
CID 62970652
3-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]benzenecarboximidamide
CID 112589680
3-[methyl(1,3-thiazol-5-ylmethyl)amino]benzenecarboximidamide
CID 112640775
3-[methyl(nonyl)amino]benzenecarboximidamide
CID 63525360
3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]benzenecarboximidamide
CID 104631152
4-[(3-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483506

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide?
The IUPAC name of 3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide (CID 62971701) is 3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide.
What is the SMILES notation for 3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide?
The canonical SMILES for 3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1cccc(N(C)Cc2cc(C)cc(C)c2)c1.
What is the InChIKey of 3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide?
The InChIKey is GYGQJMKTNNHUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-12-7-13(2)9-14(8-12)11-20(3)16-6-4-5-15(10-16)17(18)19/h4-10H,11H2,1-3H3,(H3,18,19).
What are the key properties of 3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide?
3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide has a molecular weight of 267.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide is sourced from PubChem (CID 62971701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).