2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine

C16H23N3O — CID 62448293

IUPAC2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccc(OCCn2cccn2)cc1
InChIInChI=1S/C16H23N3O/c1-16(2,3)17-13-14-5-7-15(8-6-14)20-12-11-19-10-4-9-18-19/h4-10,17H,11-13H2,1-3H3
InChIKeyPPSSOQDKFIESNX-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.85
Rot. Bonds6

About 2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine

2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine (PubChem CID 62448293) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
PubChem CID62448293
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccc(OCCn2cccn2)cc1
InChIInChI=1S/C16H23N3O/c1-16(2,3)17-13-14-5-7-15(8-6-14)20-12-11-19-10-4-9-18-19/h4-10,17H,11-13H2,1-3H3
InChIKeyPPSSOQDKFIESNX-UHFFFAOYSA-N
XLogP2.85
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 62448294
2-methyl-N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62447638
N-methyl-4-(2-pyrazol-1-ylethoxy)aniline
CID 39205104
1-[2-(4-bromophenoxy)ethyl]pyrazole
CID 46739423
N-[[2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114319805
4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine
CID 61491560
2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60956793
N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine
CID 54962036
N-[[4-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 81106411
N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 61491603
3-(2-pyrazol-1-ylethoxy)pyridine
CID 112558686
2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63061350

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine (CID 62448293) is 2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine is CC(C)(C)NCc1ccc(OCCn2cccn2)cc1.
What is the InChIKey of 2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is PPSSOQDKFIESNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(2,3)17-13-14-5-7-15(8-6-14)20-12-11-19-10-4-9-18-19/h4-10,17H,11-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine?
2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.85, 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-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62448293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).