2-methyl-N-[[5-methyl-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-2-amine

C17H25N3O — CID 82867095

IUPAC2-methyl-N-[[5-methyl-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCc1ccc(OCc2ccn(C)n2)c(CNC(C)(C)C)c1
InChIInChI=1S/C17H25N3O/c1-13-6-7-16(14(10-13)11-18-17(2,3)4)21-12-15-8-9-20(5)19-15/h6-10,18H,11-12H2,1-5H3
InChIKeyVPAIAWXBXLWVPU-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.20
Rot. Bonds5

About 2-methyl-N-[[5-methyl-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-2-amine

2-methyl-N-[[5-methyl-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 82867095) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID82867095
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-methyl-N-[[5-methyl-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCc1ccc(OCc2ccn(C)n2)c(CNC(C)(C)C)c1
InChIInChI=1S/C17H25N3O/c1-13-6-7-16(14(10-13)11-18-17(2,3)4)21-12-15-8-9-20(5)19-15/h6-10,18H,11-12H2,1-5H3
InChIKeyVPAIAWXBXLWVPU-UHFFFAOYSA-N
XLogP3.20
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[5-methyl-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 63326599
2-methyl-N-[[5-methyl-2-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 66141510
2-methyl-N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63327109
N-methyl-1-[5-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64771069
2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]acetonitrile
CID 63326558
4-[2-[(tert-butylamino)methyl]-4-methylphenoxy]butan-1-ol
CID 63326937
1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]propan-2-ol
CID 63326862
N-[[2-(2-ethylbutoxy)-5-methylphenyl]methyl]-2-methylpropan-2-amine
CID 82925961
2-methyl-N-[[5-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]propan-2-amine
CID 113473409
1-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-2-methylbutan-2-ol
CID 114492105
[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]boronic acid
CID 82870264
[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]boronic acid
CID 82870154

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-methyl-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-2-amine (CID 82867095) is 2-methyl-N-[[5-methyl-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-methyl-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-methyl-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-2-amine is Cc1ccc(OCc2ccn(C)n2)c(CNC(C)(C)C)c1.
What is the InChIKey of 2-methyl-N-[[5-methyl-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is VPAIAWXBXLWVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-6-7-16(14(10-13)11-18-17(2,3)4)21-12-15-8-9-20(5)19-15/h6-10,18H,11-12H2,1-5H3.
What are the key properties of 2-methyl-N-[[5-methyl-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-2-amine?
2-methyl-N-[[5-methyl-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-methyl-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 82867095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).