3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanimidamide

C18H23N3 — CID 62778596

IUPAC3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanimidamide
SMILES[H]/N=C(\N)CC(c1ccccc1)N(C)Cc1ccccc1C
InChIInChI=1S/C18H23N3/c1-14-8-6-7-11-16(14)13-21(2)17(12-18(19)20)15-9-4-3-5-10-15/h3-11,17H,12-13H2,1-2H3,(H3,19,20)
InChIKeyKOMSMZOCFOJFJQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.49
Rot. Bonds6

About 3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanimidamide

3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanimidamide (PubChem CID 62778596) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanimidamide.

Molecular Properties

Compound Name3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanimidamide
PubChem CID62778596
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanimidamide
SMILES[H]/N=C(\N)CC(c1ccccc1)N(C)Cc1ccccc1C
InChIInChI=1S/C18H23N3/c1-14-8-6-7-11-16(14)13-21(2)17(12-18(19)20)15-9-4-3-5-10-15/h3-11,17H,12-13H2,1-2H3,(H3,19,20)
InChIKeyKOMSMZOCFOJFJQ-UHFFFAOYSA-N
XLogP3.49
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.49
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'}

Analyze 3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanethioamide
CID 62780096
3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-phenylpropanimidamide
CID 62779599
3-[2-methylpropyl(propan-2-yl)amino]-3-phenylpropanimidamide
CID 55117825
3-[(2-chlorophenyl)methyl-methylamino]-3-phenylpropanethioamide
CID 62779797
1,1-bis[(2-methylphenyl)methyl]guanidine
CID 18981492
3-[methyl-(1-methylpiperidin-4-yl)amino]-3-phenylpropanimidamide
CID 62779255
2-(4-methoxyphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanol
CID 111122596
3-[(2-chlorophenyl)methyl-methylamino]pentanimidamide
CID 61417055
3-phenylbutanimidamide;hydrochloride
CID 69158161
3-[cyclopropylmethyl(propan-2-yl)amino]-3-phenylpropanimidamide
CID 62778447
3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-3-phenylpropanimidamide
CID 79477086
2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 61412127

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanimidamide?
The IUPAC name of 3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanimidamide (CID 62778596) is 3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanimidamide.
What is the SMILES notation for 3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanimidamide?
The canonical SMILES for 3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanimidamide is [H]/N=C(\N)CC(c1ccccc1)N(C)Cc1ccccc1C.
What is the InChIKey of 3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanimidamide?
The InChIKey is KOMSMZOCFOJFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-14-8-6-7-11-16(14)13-21(2)17(12-18(19)20)15-9-4-3-5-10-15/h3-11,17H,12-13H2,1-2H3,(H3,19,20).
What are the key properties of 3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanimidamide?
3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanimidamide has a molecular weight of 281.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanimidamide is sourced from PubChem (CID 62778596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).