N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-methylphenyl)propan-2-amine

C15H21N3 — CID 62741442

IUPACN-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-methylphenyl)propan-2-amine
SMILESCc1ncc(CNC(C)Cc2ccccc2C)[nH]1
InChIInChI=1S/C15H21N3/c1-11-6-4-5-7-14(11)8-12(2)16-9-15-10-17-13(3)18-15/h4-7,10,12,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyQCPHFYUIVFKRON-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.75
Rot. Bonds5

About N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-methylphenyl)propan-2-amine

N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-methylphenyl)propan-2-amine (PubChem CID 62741442) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-methylphenyl)propan-2-amine
PubChem CID62741442
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-methylphenyl)propan-2-amine
SMILESCc1ncc(CNC(C)Cc2ccccc2C)[nH]1
InChIInChI=1S/C15H21N3/c1-11-6-4-5-7-14(11)8-12(2)16-9-15-10-17-13(3)18-15/h4-7,10,12,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyQCPHFYUIVFKRON-UHFFFAOYSA-N
XLogP2.75
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine
CID 62742896
N-[[2-[(2-methylphenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine
CID 55177477
1-(2-methylphenyl)-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine
CID 80707990
1-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propan-2-amine
CID 54864805
(1S)-1-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 81348318
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
(1S)-1-(furan-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 81403640
2-[(2-methyl-1H-imidazol-5-yl)methylamino]propanenitrile
CID 156893042
1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine
CID 62743984
N-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 113242970
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 62136472
2-[(2-methyl-1H-imidazol-5-yl)methylamino]propane-1,3-diol
CID 65312594

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-methylphenyl)propan-2-amine?
The IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-methylphenyl)propan-2-amine (CID 62741442) is N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-methylphenyl)propan-2-amine?
The canonical SMILES for N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-methylphenyl)propan-2-amine is Cc1ncc(CNC(C)Cc2ccccc2C)[nH]1.
What is the InChIKey of N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-methylphenyl)propan-2-amine?
The InChIKey is QCPHFYUIVFKRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-6-4-5-7-14(11)8-12(2)16-9-15-10-17-13(3)18-15/h4-7,10,12,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-methylphenyl)propan-2-amine?
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-methylphenyl)propan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 62741442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).