N-methyl-4-(1-methylimidazol-2-yl)-1-phenoxybutan-2-amine

C15H21N3O — CID 114530119

IUPACN-methyl-4-(1-methylimidazol-2-yl)-1-phenoxybutan-2-amine
SMILESCNC(CCc1nccn1C)COc1ccccc1
InChIInChI=1S/C15H21N3O/c1-16-13(8-9-15-17-10-11-18(15)2)12-19-14-6-4-3-5-7-14/h3-7,10-11,13,16H,8-9,12H2,1-2H3
InChIKeySOGVKWXBIYDIMI-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.02
Rot. Bonds7

About N-methyl-4-(1-methylimidazol-2-yl)-1-phenoxybutan-2-amine

N-methyl-4-(1-methylimidazol-2-yl)-1-phenoxybutan-2-amine (PubChem CID 114530119) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-methyl-4-(1-methylimidazol-2-yl)-1-phenoxybutan-2-amine.

Molecular Properties

Compound NameN-methyl-4-(1-methylimidazol-2-yl)-1-phenoxybutan-2-amine
PubChem CID114530119
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-methyl-4-(1-methylimidazol-2-yl)-1-phenoxybutan-2-amine
SMILESCNC(CCc1nccn1C)COc1ccccc1
InChIInChI=1S/C15H21N3O/c1-16-13(8-9-15-17-10-11-18(15)2)12-19-14-6-4-3-5-7-14/h3-7,10-11,13,16H,8-9,12H2,1-2H3
InChIKeySOGVKWXBIYDIMI-UHFFFAOYSA-N
XLogP2.02
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-methylimidazol-2-yl)-5-phenoxypentan-3-amine
CID 114529898
N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine
CID 114530130
N-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine
CID 79752421
1-N,1-N,3-N-trimethyl-5-(1-methylimidazol-2-yl)pentane-1,3-diamine
CID 114530623
1-(2-methoxyethoxy)-N-methyl-5-(1-methylimidazol-2-yl)pentan-3-amine
CID 102928065
1-(2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529894
1-(4-bromophenyl)-N-methyl-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114529956
[4-(1-methylimidazol-2-yl)-1-phenylsulfanylbutan-2-yl]hydrazine
CID 105228177
N-methyl-5-(1-methylimidazol-2-yl)-1-phenylpentan-1-amine
CID 114532132
2-(3-bromo-3-phenylpropyl)-1-methylimidazole
CID 64509692
N-methyl-3-(1-methylimidazol-2-yl)-1-pyrimidin-2-ylpropan-1-amine
CID 114530008
3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1-methylimidazol-2-yl)-1-phenoxybutan-2-amine?
The IUPAC name of N-methyl-4-(1-methylimidazol-2-yl)-1-phenoxybutan-2-amine (CID 114530119) is N-methyl-4-(1-methylimidazol-2-yl)-1-phenoxybutan-2-amine.
What is the SMILES notation for N-methyl-4-(1-methylimidazol-2-yl)-1-phenoxybutan-2-amine?
The canonical SMILES for N-methyl-4-(1-methylimidazol-2-yl)-1-phenoxybutan-2-amine is CNC(CCc1nccn1C)COc1ccccc1.
What is the InChIKey of N-methyl-4-(1-methylimidazol-2-yl)-1-phenoxybutan-2-amine?
The InChIKey is SOGVKWXBIYDIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-16-13(8-9-15-17-10-11-18(15)2)12-19-14-6-4-3-5-7-14/h3-7,10-11,13,16H,8-9,12H2,1-2H3.
What are the key properties of N-methyl-4-(1-methylimidazol-2-yl)-1-phenoxybutan-2-amine?
N-methyl-4-(1-methylimidazol-2-yl)-1-phenoxybutan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1-methylimidazol-2-yl)-1-phenoxybutan-2-amine is sourced from PubChem (CID 114530119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).