1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]butan-2-amine

C15H21N3 — CID 106721438

IUPAC1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cn(Cc2cccc(C)c2)cn1
InChIInChI=1S/C15H21N3/c1-3-14(16)8-15-10-18(11-17-15)9-13-6-4-5-12(2)7-13/h4-7,10-11,14H,3,8-9,16H2,1-2H3
InChIKeyZPQXZJVHIQZUDC-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.52
Rot. Bonds5

About 1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]butan-2-amine

1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]butan-2-amine (PubChem CID 106721438) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]butan-2-amine
PubChem CID106721438
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cn(Cc2cccc(C)c2)cn1
InChIInChI=1S/C15H21N3/c1-3-14(16)8-15-10-18(11-17-15)9-13-6-4-5-12(2)7-13/h4-7,10-11,14H,3,8-9,16H2,1-2H3
InChIKeyZPQXZJVHIQZUDC-UHFFFAOYSA-N
XLogP2.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3-methylphenyl)methyl]imidazol-4-yl]ethanamine
CID 79983345
N-methyl-1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 83886789
1-[1-(pyrimidin-2-ylmethyl)imidazol-4-yl]butan-2-amine
CID 106721431
1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]butan-2-amine
CID 62730775
1-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721377
1-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine
CID 106721303
1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721337
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721394
1-[1-[(2-nitrophenyl)methyl]imidazol-4-yl]butan-2-amine
CID 106721326
1-[1-[(2-fluoro-3-nitrophenyl)methyl]imidazol-4-yl]butan-2-amine
CID 107353587
4-[[4-(2-aminobutyl)imidazol-1-yl]methyl]-3-fluorobenzonitrile
CID 106721249
1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721334

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]butan-2-amine?
The IUPAC name of 1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]butan-2-amine (CID 106721438) is 1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]butan-2-amine is CCC(N)Cc1cn(Cc2cccc(C)c2)cn1.
What is the InChIKey of 1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]butan-2-amine?
The InChIKey is ZPQXZJVHIQZUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-14(16)8-15-10-18(11-17-15)9-13-6-4-5-12(2)7-13/h4-7,10-11,14H,3,8-9,16H2,1-2H3.
What are the key properties of 1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]butan-2-amine?
1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]butan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]butan-2-amine is sourced from PubChem (CID 106721438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).