3-[methyl(2-phenylethyl)amino]benzenecarboximidamide

C16H19N3 — CID 62971177

IUPAC3-[methyl(2-phenylethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)CCc2ccccc2)c1
InChIInChI=1S/C16H19N3/c1-19(11-10-13-6-3-2-4-7-13)15-9-5-8-14(12-15)16(17)18/h2-9,12H,10-11H2,1H3,(H3,17,18)
InChIKeyJOBXNUNZEWSRRZ-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.65
Rot. Bonds5

About 3-[methyl(2-phenylethyl)amino]benzenecarboximidamide

3-[methyl(2-phenylethyl)amino]benzenecarboximidamide (PubChem CID 62971177) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[methyl(2-phenylethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name3-[methyl(2-phenylethyl)amino]benzenecarboximidamide
PubChem CID62971177
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name3-[methyl(2-phenylethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)CCc2ccccc2)c1
InChIInChI=1S/C16H19N3/c1-19(11-10-13-6-3-2-4-7-13)15-9-5-8-14(12-15)16(17)18/h2-9,12H,10-11H2,1H3,(H3,17,18)
InChIKeyJOBXNUNZEWSRRZ-UHFFFAOYSA-N
XLogP2.65
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.65
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-phenylethyl)amino]benzenecarboximidamide 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(propyl)amino]benzenecarboximidamide
CID 62970999
3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide
CID 80696188
2-methyl-4-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 81278369
3-[methyl(nonyl)amino]benzenecarboximidamide
CID 63525360
3-[3-[(N-methylanilino)methyl]phenyl]benzenecarboximidamide
CID 59894348
3-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]benzenecarboximidamide
CID 112589680
3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide
CID 62971701
3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide
CID 62969953
3-[(N-butylanilino)methyl]benzenecarboximidamide
CID 64585202
3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]benzenecarboximidamide
CID 62971703
3-[2-(3-bromophenoxy)ethyl-methylamino]benzenecarboximidamide
CID 62971878
4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 65486843

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-phenylethyl)amino]benzenecarboximidamide?
The IUPAC name of 3-[methyl(2-phenylethyl)amino]benzenecarboximidamide (CID 62971177) is 3-[methyl(2-phenylethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 3-[methyl(2-phenylethyl)amino]benzenecarboximidamide?
The canonical SMILES for 3-[methyl(2-phenylethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1cccc(N(C)CCc2ccccc2)c1.
What is the InChIKey of 3-[methyl(2-phenylethyl)amino]benzenecarboximidamide?
The InChIKey is JOBXNUNZEWSRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-19(11-10-13-6-3-2-4-7-13)15-9-5-8-14(12-15)16(17)18/h2-9,12H,10-11H2,1H3,(H3,17,18).
What are the key properties of 3-[methyl(2-phenylethyl)amino]benzenecarboximidamide?
3-[methyl(2-phenylethyl)amino]benzenecarboximidamide has a molecular weight of 253.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-phenylethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 62971177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).