N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine

C16H21N3 — CID 106719934

IUPACN-[[1-[(3,4-dimethylphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCc1ccc(Cn2cnc(CNC3CC3)c2)cc1C
InChIInChI=1S/C16H21N3/c1-12-3-4-14(7-13(12)2)9-19-10-16(18-11-19)8-17-15-5-6-15/h3-4,7,10-11,15,17H,5-6,8-9H2,1-2H3
InChIKeyWTAZEMSGTABVDS-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.80
Rot. Bonds5

About N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine

N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 106719934) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3,4-dimethylphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
PubChem CID106719934
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC NameN-[[1-[(3,4-dimethylphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCc1ccc(Cn2cnc(CNC3CC3)c2)cc1C
InChIInChI=1S/C16H21N3/c1-12-3-4-14(7-13(12)2)9-19-10-16(18-11-19)8-17-15-5-6-15/h3-4,7,10-11,15,17H,5-6,8-9H2,1-2H3
InChIKeyWTAZEMSGTABVDS-UHFFFAOYSA-N
XLogP2.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine 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

N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719791
N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719982
N-[[1-(2-methylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719854
N-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine
CID 117191740
N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719837
2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide
CID 106719907
N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719785
N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719730
N-methyl-1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 83886789
N-[[1-[3-(dimethylamino)-2,2-dimethylpropyl]imidazol-4-yl]methyl]cyclopropanamine
CID 114203981
N-[[1-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719755
N-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719864

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine (CID 106719934) is N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine is Cc1ccc(Cn2cnc(CNC3CC3)c2)cc1C.
What is the InChIKey of N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is WTAZEMSGTABVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-3-4-14(7-13(12)2)9-19-10-16(18-11-19)8-17-15-5-6-15/h3-4,7,10-11,15,17H,5-6,8-9H2,1-2H3.
What are the key properties of N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 255.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106719934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).