2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine

C16H23N3O — CID 60956793

IUPAC2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCn1ccnc1COc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C16H23N3O/c1-16(2,3)18-11-13-5-7-14(8-6-13)20-12-15-17-9-10-19(15)4/h5-10,18H,11-12H2,1-4H3
InChIKeyCALZRVKFBOXQMT-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.89
Rot. Bonds5

About 2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine

2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 60956793) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID60956793
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCn1ccnc1COc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C16H23N3O/c1-16(2,3)18-11-13-5-7-14(8-6-13)20-12-15-17-9-10-19(15)4/h5-10,18H,11-12H2,1-4H3
InChIKeyCALZRVKFBOXQMT-UHFFFAOYSA-N
XLogP2.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60880617
2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride
CID 42962680
2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetonitrile
CID 43144039
4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]cyclohexan-1-ol
CID 56796537
(2R,3R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276258
2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63061350
2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methyl]propan-2-amine
CID 114528934
N-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60880817
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60880506
(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 78932968
2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 62448293
(2R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95290592

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine (CID 60956793) is 2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine is Cn1ccnc1COc1ccc(CNC(C)(C)C)cc1.
What is the InChIKey of 2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is CALZRVKFBOXQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(2,3)18-11-13-5-7-14(8-6-13)20-12-15-17-9-10-19(15)4/h5-10,18H,11-12H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine?
2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 60956793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).