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

C15H21N3 — CID 55177477

IUPACN-[[2-[(2-methylphenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCc1ccccc1Cc1ncc(CNC(C)C)[nH]1
InChIInChI=1S/C15H21N3/c1-11(2)16-9-14-10-17-15(18-14)8-13-7-5-4-6-12(13)3/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyAXONUXAHLCLVGV-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.81
Rot. Bonds5

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

N-[[2-[(2-methylphenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine (PubChem CID 55177477) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[[2-[(2-methylphenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2-methylphenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine
PubChem CID55177477
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[[2-[(2-methylphenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCc1ccccc1Cc1ncc(CNC(C)C)[nH]1
InChIInChI=1S/C15H21N3/c1-11(2)16-9-14-10-17-15(18-14)8-13-7-5-4-6-12(13)3/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyAXONUXAHLCLVGV-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methylphenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(2-methylphenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine (CID 55177477) is N-[[2-[(2-methylphenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(2-methylphenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(2-methylphenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine is Cc1ccccc1Cc1ncc(CNC(C)C)[nH]1.
What is the InChIKey of N-[[2-[(2-methylphenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine?
The InChIKey is AXONUXAHLCLVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11(2)16-9-14-10-17-15(18-14)8-13-7-5-4-6-12(13)3/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-[[2-[(2-methylphenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine?
N-[[2-[(2-methylphenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methylphenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 55177477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).