N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine

C14H19N3 — CID 63071920

IUPACN-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C14H19N3/c1-14(2,3)16-10-12-6-4-5-7-13(12)17-9-8-15-11-17/h4-9,11,16H,10H2,1-3H3
InChIKeyYXJSGNYYPVYOTH-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.76
Rot. Bonds3

About N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine

N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 63071920) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine
PubChem CID63071920
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C14H19N3/c1-14(2,3)16-10-12-6-4-5-7-13(12)17-9-8-15-11-17/h4-9,11,16H,10H2,1-3H3
InChIKeyYXJSGNYYPVYOTH-UHFFFAOYSA-N
XLogP2.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-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

1-[2-(2,2-dimethylpropyl)phenyl]imidazole
CID 169321927
N-[(2-chloro-6-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine
CID 63071720
N'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine
CID 107444874
N-[(2-imidazol-1-ylphenyl)methyl]cyclopentanamine
CID 129369503
1-[6-[(2-imidazol-1-ylphenyl)methylamino]-3-pyridinyl]ethanone
CID 91651100
1-(2-imidazol-1-ylphenyl)-N,N-dimethylmethanamine
CID 175241925
N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline
CID 62392271
1-[2-(methylsulfanylmethyl)phenyl]imidazole;hydrobromide
CID 162319844
1-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111610038
(1R)-N-[(2-imidazol-1-ylphenyl)methyl]-3-methyl-1-pyridin-2-ylbutan-1-amine
CID 97230542
(E)-3-(4-tert-butylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 28631482
1-tert-butyl-3-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 110967209

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine (CID 63071920) is N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccccc1-n1ccnc1.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is YXJSGNYYPVYOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-14(2,3)16-10-12-6-4-5-7-13(12)17-9-8-15-11-17/h4-9,11,16H,10H2,1-3H3.
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine?
N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 229.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63071920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).