N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propoxyphenyl)methanamine

C15H21N3O — CID 82903609

IUPACN-methyl-1-(3-methylimidazol-4-yl)-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(NC)c2cncn2C)cc1
InChIInChI=1S/C15H21N3O/c1-4-9-19-13-7-5-12(6-8-13)15(16-2)14-10-17-11-18(14)3/h5-8,10-11,15-16H,4,9H2,1-3H3
InChIKeyMLKUMYRXVWEAFX-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.52
Rot. Bonds6

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

N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propoxyphenyl)methanamine (PubChem CID 82903609) 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-propoxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylimidazol-4-yl)-1-(4-propoxyphenyl)methanamine
PubChem CID82903609
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-methyl-1-(3-methylimidazol-4-yl)-1-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(NC)c2cncn2C)cc1
InChIInChI=1S/C15H21N3O/c1-4-9-19-13-7-5-12(6-8-13)15(16-2)14-10-17-11-18(14)3/h5-8,10-11,15-16H,4,9H2,1-3H3
InChIKeyMLKUMYRXVWEAFX-UHFFFAOYSA-N
XLogP2.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-propan-2-yloxyphenyl)methanamine
CID 82903741
[(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methyl]hydrazine
CID 105264597
1-(3-ethylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82901688
1-(3-methoxy-4-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 105065538
(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methanol
CID 66118611
1-(4-butoxyphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103135767
(3-ethylimidazol-4-yl)-(4-propoxyphenyl)methanol
CID 66135578
1-(3,5-dimethylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82902598
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105175625
N-methyl-1-(5-methylfuran-3-yl)-1-(4-propoxyphenyl)methanamine
CID 115853275
1-(1-ethylimidazol-2-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82903281
N-methyl-1-(3-methyl-2-pyridinyl)-1-(4-propoxyphenyl)methanamine
CID 62796820

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propoxyphenyl)methanamine?
The IUPAC name of N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propoxyphenyl)methanamine (CID 82903609) is N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propoxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propoxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propoxyphenyl)methanamine is CCCOc1ccc(C(NC)c2cncn2C)cc1.
What is the InChIKey of N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propoxyphenyl)methanamine?
The InChIKey is MLKUMYRXVWEAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-9-19-13-7-5-12(6-8-13)15(16-2)14-10-17-11-18(14)3/h5-8,10-11,15-16H,4,9H2,1-3H3.
What are the key properties of N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propoxyphenyl)methanamine?
N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propoxyphenyl)methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.52, 6 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-propoxyphenyl)methanamine is sourced from PubChem (CID 82903609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).