2-methyl-N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine

C17H25N3O — CID 62446843

IUPAC2-methyl-N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
SMILESCc1nccn1CCOc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C17H25N3O/c1-14-18-8-9-20(14)10-11-21-16-7-5-6-15(12-16)13-19-17(2,3)4/h5-9,12,19H,10-11,13H2,1-4H3
InChIKeyYIQXNJWVFUMJLQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.16
Rot. Bonds6

About 2-methyl-N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine

2-methyl-N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine (PubChem CID 62446843) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-methyl-N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
PubChem CID62446843
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-methyl-N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
SMILESCc1nccn1CCOc1cccc(CNC(C)(C)C)c1
InChIInChI=1S/C17H25N3O/c1-14-18-8-9-20(14)10-11-21-16-7-5-6-15(12-16)13-19-17(2,3)4/h5-9,12,19H,10-11,13H2,1-4H3
InChIKeyYIQXNJWVFUMJLQ-UHFFFAOYSA-N
XLogP3.16
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 61493250
N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 61493252
2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 62438277
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
(1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol
CID 55191298
2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine
CID 64553938
1-[4-(3-methoxyphenoxy)butyl]-2-methylimidazole
CID 2935203
1-[2-[3-(3-chloroprop-1-ynyl)phenoxy]ethyl]-2-methylimidazole
CID 61493662
3-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]prop-2-yn-1-amine
CID 61493808
N-[(3-hept-6-enoxyphenyl)methyl]-2-methylpropan-2-amine
CID 107006178
4-[3-[(tert-butylamino)methyl]phenoxy]butan-2-ol
CID 113398854
2-[2-[3-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol
CID 63058258

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine (CID 62446843) is 2-methyl-N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine is Cc1nccn1CCOc1cccc(CNC(C)(C)C)c1.
What is the InChIKey of 2-methyl-N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine?
The InChIKey is YIQXNJWVFUMJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14-18-8-9-20(14)10-11-21-16-7-5-6-15(12-16)13-19-17(2,3)4/h5-9,12,19H,10-11,13H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine?
2-methyl-N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62446843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).