2-methyl-N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine

C17H25N3O — CID 62447638

IUPAC2-methyl-N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
SMILESCc1cnn(CCOc2ccc(CNC(C)(C)C)cc2)c1
InChIInChI=1S/C17H25N3O/c1-14-11-19-20(13-14)9-10-21-16-7-5-15(6-8-16)12-18-17(2,3)4/h5-8,11,13,18H,9-10,12H2,1-4H3
InChIKeyHZQQNJYEKASILM-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.16
Rot. Bonds6

About 2-methyl-N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine

2-methyl-N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine (PubChem CID 62447638) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-methyl-N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
PubChem CID62447638
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-methyl-N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
SMILESCc1cnn(CCOc2ccc(CNC(C)(C)C)cc2)c1
InChIInChI=1S/C17H25N3O/c1-14-11-19-20(13-14)9-10-21-16-7-5-15(6-8-16)12-18-17(2,3)4/h5-8,11,13,18H,9-10,12H2,1-4H3
InChIKeyHZQQNJYEKASILM-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-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62447636
2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 62448293
2-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]ethanamine
CID 60874221
1-[2-(3-fluoro-4-methylphenoxy)ethyl]-4-methylpyrazole
CID 114279121
2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63061350
2-(4-methylpyrazol-1-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 56780994
N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 55073469
N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62440381
N-[[4-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 81106411
N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649741
5-[4-[(tert-butylamino)methyl]phenoxy]pentan-1-ol
CID 63062040
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine (CID 62447638) is 2-methyl-N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine is Cc1cnn(CCOc2ccc(CNC(C)(C)C)cc2)c1.
What is the InChIKey of 2-methyl-N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine?
The InChIKey is HZQQNJYEKASILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14-11-19-20(13-14)9-10-21-16-7-5-15(6-8-16)12-18-17(2,3)4/h5-8,11,13,18H,9-10,12H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine?
2-methyl-N-[[4-[2-(4-methylpyrazol-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-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62447638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).