N-methyl-N-(oxan-3-ylmethyl)-5-phenyl-4,5-dihydro-1H-imidazol-2-amine

C16H23N3O — CID 166366975

IUPACN-methyl-N-(oxan-3-ylmethyl)-5-phenyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCN(CC1CCCOC1)C1=NCC(c2ccccc2)N1
InChIInChI=1S/C16H23N3O/c1-19(11-13-6-5-9-20-12-13)16-17-10-15(18-16)14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,17,18)
InChIKeyXVKJOPCARNCZIV-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.05
Rot. Bonds3

About N-methyl-N-(oxan-3-ylmethyl)-5-phenyl-4,5-dihydro-1H-imidazol-2-amine

N-methyl-N-(oxan-3-ylmethyl)-5-phenyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 166366975) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-methyl-N-(oxan-3-ylmethyl)-5-phenyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(oxan-3-ylmethyl)-5-phenyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID166366975
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-methyl-N-(oxan-3-ylmethyl)-5-phenyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCN(CC1CCCOC1)C1=NCC(c2ccccc2)N1
InChIInChI=1S/C16H23N3O/c1-19(11-13-6-5-9-20-12-13)16-17-10-15(18-16)14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,17,18)
InChIKeyXVKJOPCARNCZIV-UHFFFAOYSA-N
XLogP2.05
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(oxan-3-ylmethyl)-5-phenyl-4,5-dihydro-1H-imidazol-2-amine 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

2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 63713314
N'-hydroxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide
CID 76951613
1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]ethanone
CID 63711171
1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]propan-1-ol
CID 112678972
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one
CID 63712078
N-[(3-bromophenyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 166367483
N-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
CID 63726928
2-N,6-dimethyl-2-N-(oxan-3-ylmethyl)pyridine-2,3-diamine
CID 81131398
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine
CID 167908961
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
2-[methyl(oxan-3-ylmethyl)amino]-2-phenylacetohydrazide
CID 63707200

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-3-ylmethyl)-5-phenyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-methyl-N-(oxan-3-ylmethyl)-5-phenyl-4,5-dihydro-1H-imidazol-2-amine (CID 166366975) is N-methyl-N-(oxan-3-ylmethyl)-5-phenyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-methyl-N-(oxan-3-ylmethyl)-5-phenyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-methyl-N-(oxan-3-ylmethyl)-5-phenyl-4,5-dihydro-1H-imidazol-2-amine is CN(CC1CCCOC1)C1=NCC(c2ccccc2)N1.
What is the InChIKey of N-methyl-N-(oxan-3-ylmethyl)-5-phenyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is XVKJOPCARNCZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-19(11-13-6-5-9-20-12-13)16-17-10-15(18-16)14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,17,18).
What are the key properties of N-methyl-N-(oxan-3-ylmethyl)-5-phenyl-4,5-dihydro-1H-imidazol-2-amine?
N-methyl-N-(oxan-3-ylmethyl)-5-phenyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-3-ylmethyl)-5-phenyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 166366975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).