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

C15H21N3O — CID 82903741

IUPACN-methyl-1-(3-methylimidazol-4-yl)-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCNC(c1ccc(OC(C)C)cc1)c1cncn1C
InChIInChI=1S/C15H21N3O/c1-11(2)19-13-7-5-12(6-8-13)15(16-3)14-9-17-10-18(14)4/h5-11,15-16H,1-4H3
InChIKeyODXJPXUHFXUKBS-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.52
Rot. Bonds5

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

N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propan-2-yloxyphenyl)methanamine (PubChem CID 82903741) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylimidazol-4-yl)-1-(4-propan-2-yloxyphenyl)methanamine
PubChem CID82903741
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-methyl-1-(3-methylimidazol-4-yl)-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCNC(c1ccc(OC(C)C)cc1)c1cncn1C
InChIInChI=1S/C15H21N3O/c1-11(2)19-13-7-5-12(6-8-13)15(16-3)14-9-17-10-18(14)4/h5-11,15-16H,1-4H3
InChIKeyODXJPXUHFXUKBS-UHFFFAOYSA-N
XLogP2.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propoxyphenyl)methanamine
CID 82903609
1-(3,5-dimethylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82902598
N-[(3-methylimidazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 63002109
[(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methyl]hydrazine
CID 105264597
1-(3-ethylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82901688
ethane;N-methyl-1-(3-methylimidazol-4-yl)ethanamine
CID 143252273
1-(3-chlorothiophen-2-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 107360135
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
1-(2-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82902135
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 114660153
[(4-propan-2-yloxyphenyl)-pyrimidin-5-ylmethyl]hydrazine
CID 102924195
N-methyl-1-(3-methylimidazol-4-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 82901718

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propan-2-yloxyphenyl)methanamine (CID 82903741) is N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propan-2-yloxyphenyl)methanamine is CNC(c1ccc(OC(C)C)cc1)c1cncn1C.
What is the InChIKey of N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propan-2-yloxyphenyl)methanamine?
The InChIKey is ODXJPXUHFXUKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)19-13-7-5-12(6-8-13)15(16-3)14-9-17-10-18(14)4/h5-11,15-16H,1-4H3.
What are the key properties of N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propan-2-yloxyphenyl)methanamine?
N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propan-2-yloxyphenyl)methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 82903741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).