N-[(3-methoxyphenyl)methyl]-N-methylpropanimidamide

C12H18N2O — CID 63177552

IUPACN-[(3-methoxyphenyl)methyl]-N-methylpropanimidamide
SMILES[H]/N=C(\CC)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C12H18N2O/c1-4-12(13)14(2)9-10-6-5-7-11(8-10)15-3/h5-8,13H,4,9H2,1-3H3/b13-12+
InChIKeyDOHXTQHJRCOXQX-OUKQBFOZSA-N
MW206.29 g/mol
LogP2.51
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-N-methylpropanimidamide

N-[(3-methoxyphenyl)methyl]-N-methylpropanimidamide (PubChem CID 63177552) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methylpropanimidamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methylpropanimidamide
PubChem CID63177552
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methylpropanimidamide
SMILES[H]/N=C(\CC)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C12H18N2O/c1-4-12(13)14(2)9-10-6-5-7-11(8-10)15-3/h5-8,13H,4,9H2,1-3H3/b13-12+
InChIKeyDOHXTQHJRCOXQX-OUKQBFOZSA-N
XLogP2.51
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[(3-methoxyphenyl)methyl]-N-methylpropanimidamide 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-ethyl-1-[(3-methoxyphenyl)methyl]-1-methylthiourea
CID 8768028
1-[(3-methoxyphenyl)methyl]-1,3-dimethylthiourea
CID 7944505
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
2-[butyl(ethyl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 86910816
O-(4-tert-butylphenyl) N-[(3-methoxyphenyl)methyl]-N-methylcarbamothioate
CID 139704675
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide
CID 54869166
N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 70971804
3-[ethyl-[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 61417820
ethyl 4-[(3-methoxyphenyl)methyl-methylamino]-4-oxobutanoate
CID 60636296
2-(4-ethoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 84601116

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methylpropanimidamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methylpropanimidamide (CID 63177552) is N-[(3-methoxyphenyl)methyl]-N-methylpropanimidamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methylpropanimidamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methylpropanimidamide is [H]/N=C(\CC)N(C)Cc1cccc(OC)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methylpropanimidamide?
The InChIKey is DOHXTQHJRCOXQX-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-12(13)14(2)9-10-6-5-7-11(8-10)15-3/h5-8,13H,4,9H2,1-3H3/b13-12+.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methylpropanimidamide?
N-[(3-methoxyphenyl)methyl]-N-methylpropanimidamide has a molecular weight of 206.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methylpropanimidamide is sourced from PubChem (CID 63177552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).