1-(2-cyclobutylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine

C16H21N3 — CID 114604500

IUPAC1-(2-cyclobutylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
SMILESCNC(c1ccccc1C1CCC1)c1cncn1C
InChIInChI=1S/C16H21N3/c1-17-16(15-10-18-11-19(15)2)14-9-4-3-8-13(14)12-6-5-7-12/h3-4,8-12,16-17H,5-7H2,1-2H3
InChIKeyZXYPLSXYYXZKSM-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.00
Rot. Bonds4

About 1-(2-cyclobutylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine

1-(2-cyclobutylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine (PubChem CID 114604500) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
PubChem CID114604500
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-(2-cyclobutylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
SMILESCNC(c1ccccc1C1CCC1)c1cncn1C
InChIInChI=1S/C16H21N3/c1-17-16(15-10-18-11-19(15)2)14-9-4-3-8-13(14)12-6-5-7-12/h3-4,8-12,16-17H,5-7H2,1-2H3
InChIKeyZXYPLSXYYXZKSM-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82902135
1-(2-cyclobutylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 114602735
1-(2-cyclobutylphenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 114604437
1-(2-cyclobutylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105066142
1-(2-cyclobutylphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 105188892
1-(4-bromophenyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine
CID 114602530
1-isoquinolin-5-yl-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82901693
1-(2-cyclobutylphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105188804
1-(2-cyclobutylphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 105052188
N-methyl-1-(3-methylimidazol-4-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 82901718
1-(2-cyclobutylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 114602722
N-[(2-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 105188811

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine?
The IUPAC name of 1-(2-cyclobutylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine (CID 114604500) is 1-(2-cyclobutylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine.
What is the SMILES notation for 1-(2-cyclobutylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine?
The canonical SMILES for 1-(2-cyclobutylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine is CNC(c1ccccc1C1CCC1)c1cncn1C.
What is the InChIKey of 1-(2-cyclobutylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine?
The InChIKey is ZXYPLSXYYXZKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-17-16(15-10-18-11-19(15)2)14-9-4-3-8-13(14)12-6-5-7-12/h3-4,8-12,16-17H,5-7H2,1-2H3.
What are the key properties of 1-(2-cyclobutylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine?
1-(2-cyclobutylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine has a molecular weight of 255.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 114604500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).