2-methyl-N-[[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine

C17H25N3 — CID 66151545

IUPAC2-methyl-N-[[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCc1ccccc1C(C)n1cncc1CNC(C)(C)C
InChIInChI=1S/C17H25N3/c1-13-8-6-7-9-16(13)14(2)20-12-18-10-15(20)11-19-17(3,4)5/h6-10,12,14,19H,11H2,1-5H3
InChIKeyILQWRVZVVOOGIV-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.69
Rot. Bonds4

About 2-methyl-N-[[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine (PubChem CID 66151545) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-methyl-N-[[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine
PubChem CID66151545
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-methyl-N-[[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCc1ccccc1C(C)n1cncc1CNC(C)(C)C
InChIInChI=1S/C17H25N3/c1-13-8-6-7-9-16(13)14(2)20-12-18-10-15(20)11-19-17(3,4)5/h6-10,12,14,19H,11H2,1-5H3
InChIKeyILQWRVZVVOOGIV-UHFFFAOYSA-N
XLogP3.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66147536
N-[[3-[1-(3-bromophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66149676
2-methyl-N-[[3-(1-thiophen-3-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66149926
2-methyl-N-[[3-(2-methylpentan-3-yl)imidazol-4-yl]methyl]propan-2-amine
CID 66148627
N-[[3-(1-phenylethyl)imidazol-4-yl]methyl]ethanamine
CID 66148577
(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375145
N-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine
CID 19841742
2-methyl-N-[[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]methyl]propan-2-amine
CID 66146334
[3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanamine
CID 66149048
[3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanol
CID 66151440
[3-(1-naphthalen-1-ylethyl)imidazol-4-yl]methanol
CID 18673646
2-methyl-6-[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114719209

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine (CID 66151545) is 2-methyl-N-[[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine is Cc1ccccc1C(C)n1cncc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is ILQWRVZVVOOGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-13-8-6-7-9-16(13)14(2)20-12-18-10-15(20)11-19-17(3,4)5/h6-10,12,14,19H,11H2,1-5H3.
What are the key properties of 2-methyl-N-[[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66151545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).