N-(1H-imidazol-2-ylmethyl)-2-methyl-3-phenylmethoxypropan-1-amine

C15H21N3O — CID 119111767

IUPACN-(1H-imidazol-2-ylmethyl)-2-methyl-3-phenylmethoxypropan-1-amine
SMILESCC(CNCc1ncc[nH]1)COCc1ccccc1
InChIInChI=1S/C15H21N3O/c1-13(9-16-10-15-17-7-8-18-15)11-19-12-14-5-3-2-4-6-14/h2-8,13,16H,9-12H2,1H3,(H,17,18)
InChIKeyRYSPAQHMFYRTSG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.35
Rot. Bonds8

About N-(1H-imidazol-2-ylmethyl)-2-methyl-3-phenylmethoxypropan-1-amine

N-(1H-imidazol-2-ylmethyl)-2-methyl-3-phenylmethoxypropan-1-amine (PubChem CID 119111767) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-methyl-3-phenylmethoxypropan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-methyl-3-phenylmethoxypropan-1-amine
PubChem CID119111767
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-methyl-3-phenylmethoxypropan-1-amine
SMILESCC(CNCc1ncc[nH]1)COCc1ccccc1
InChIInChI=1S/C15H21N3O/c1-13(9-16-10-15-17-7-8-18-15)11-19-12-14-5-3-2-4-6-14/h2-8,13,16H,9-12H2,1H3,(H,17,18)
InChIKeyRYSPAQHMFYRTSG-UHFFFAOYSA-N
XLogP2.35
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1H-imidazol-2-ylmethyl)-2-methyl-3-phenylmethoxypropan-1-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

N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 46784320
N-(1H-imidazol-2-ylmethyl)-2-methylpentan-1-amine
CID 64546852
N-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904708
(2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol
CID 92763391
N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine;methane;molecular hydrogen
CID 142079283
2-N,2-N-diethyl-1-N-(1H-imidazol-2-ylmethyl)propane-1,2-diamine
CID 119111194
2-(1H-imidazol-2-ylmethylamino)-1-(2-methylphenyl)ethanol
CID 111118678
[(2R)-3-iodo-2-methylpropoxy]methylbenzene
CID 10334380
6-methyl-N-(2-methyl-3-phenylmethoxypropyl)pyrimidin-4-amine
CID 133298482
N-(1H-imidazol-2-ylmethyl)-2-methoxy-1-phenylethanamine
CID 113235607
2-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)acetamide
CID 119750653
benzyl N-[1-(1H-imidazol-2-yl)-3-methylbutan-2-yl]carbamate
CID 18934604

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-methyl-3-phenylmethoxypropan-1-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-methyl-3-phenylmethoxypropan-1-amine (CID 119111767) is N-(1H-imidazol-2-ylmethyl)-2-methyl-3-phenylmethoxypropan-1-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-methyl-3-phenylmethoxypropan-1-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-methyl-3-phenylmethoxypropan-1-amine is CC(CNCc1ncc[nH]1)COCc1ccccc1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-methyl-3-phenylmethoxypropan-1-amine?
The InChIKey is RYSPAQHMFYRTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-13(9-16-10-15-17-7-8-18-15)11-19-12-14-5-3-2-4-6-14/h2-8,13,16H,9-12H2,1H3,(H,17,18).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-methyl-3-phenylmethoxypropan-1-amine?
N-(1H-imidazol-2-ylmethyl)-2-methyl-3-phenylmethoxypropan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-methyl-3-phenylmethoxypropan-1-amine is sourced from PubChem (CID 119111767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).