N,N-dimethyl-1-phenylmethanamine;2-methyl-1H-imidazole

C13H19N3 — CID 19938699

IUPACN,N-dimethyl-1-phenylmethanamine;2-methyl-1H-imidazole
SMILESCN(C)Cc1ccccc1.Cc1ncc[nH]1
InChIInChI=1S/C9H13N.C4H6N2/c1-10(2)8-9-6-4-3-5-7-9;1-4-5-2-3-6-4/h3-7H,8H2,1-2H3;2-3H,1H3,(H,5,6)
InChIKeyYBMAIYZUVQQWFO-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.47
Rot. Bonds2

About N,N-dimethyl-1-phenylmethanamine;2-methyl-1H-imidazole

N,N-dimethyl-1-phenylmethanamine;2-methyl-1H-imidazole (PubChem CID 19938699) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylmethanamine;2-methyl-1H-imidazole.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylmethanamine;2-methyl-1H-imidazole
PubChem CID19938699
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN,N-dimethyl-1-phenylmethanamine;2-methyl-1H-imidazole
SMILESCN(C)Cc1ccccc1.Cc1ncc[nH]1
InChIInChI=1S/C9H13N.C4H6N2/c1-10(2)8-9-6-4-3-5-7-9;1-4-5-2-3-6-4/h3-7H,8H2,1-2H3;2-3H,1H3,(H,5,6)
InChIKeyYBMAIYZUVQQWFO-UHFFFAOYSA-N
XLogP2.47
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 91213426
sodium;2-methyl-1H-imidazole;chloride
CID 174938695
methanol;2-methyl-1H-imidazole
CID 174899485
N-benzyl-2-(dimethylamino)-N-(1H-imidazol-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylmethanamine;2-methyl-1H-imidazole?
The IUPAC name of N,N-dimethyl-1-phenylmethanamine;2-methyl-1H-imidazole (CID 19938699) is N,N-dimethyl-1-phenylmethanamine;2-methyl-1H-imidazole.
What is the SMILES notation for N,N-dimethyl-1-phenylmethanamine;2-methyl-1H-imidazole?
The canonical SMILES for N,N-dimethyl-1-phenylmethanamine;2-methyl-1H-imidazole is CN(C)Cc1ccccc1.Cc1ncc[nH]1.
What is the InChIKey of N,N-dimethyl-1-phenylmethanamine;2-methyl-1H-imidazole?
The InChIKey is YBMAIYZUVQQWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C4H6N2/c1-10(2)8-9-6-4-3-5-7-9;1-4-5-2-3-6-4/h3-7H,8H2,1-2H3;2-3H,1H3,(H,5,6).
What are the key properties of N,N-dimethyl-1-phenylmethanamine;2-methyl-1H-imidazole?
N,N-dimethyl-1-phenylmethanamine;2-methyl-1H-imidazole has a molecular weight of 217.32 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenylmethanamine;2-methyl-1H-imidazole is sourced from PubChem (CID 19938699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).