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

C17H25N3O — CID 116793677

IUPAC2-methyl-N-[2-[2-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]ethyl]propan-2-amine
SMILESCn1cc(OCc2ccccc2CCNC(C)(C)C)cn1
InChIInChI=1S/C17H25N3O/c1-17(2,3)18-10-9-14-7-5-6-8-15(14)13-21-16-11-19-20(4)12-16/h5-8,11-12,18H,9-10,13H2,1-4H3
InChIKeyDAVPPNAOQRXCLF-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.93
Rot. Bonds6

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

2-methyl-N-[2-[2-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]ethyl]propan-2-amine (PubChem CID 116793677) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]ethyl]propan-2-amine
PubChem CID116793677
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-methyl-N-[2-[2-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]ethyl]propan-2-amine
SMILESCn1cc(OCc2ccccc2CCNC(C)(C)C)cn1
InChIInChI=1S/C17H25N3O/c1-17(2,3)18-10-9-14-7-5-6-8-15(14)13-21-16-11-19-20(4)12-16/h5-8,11-12,18H,9-10,13H2,1-4H3
InChIKeyDAVPPNAOQRXCLF-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methoxyphenyl)methoxy]-1-methylpyrazole
CID 116794197
2-[(1-methylpyrazol-4-yl)oxymethyl]benzonitrile
CID 115753079
1-methyl-4-phenylmethoxypyrazole
CID 84661432
2-methyl-N-[[2-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-2-amine
CID 116793343
N-[2-[2-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]ethyl]cyclopropanamine
CID 116803262
2-[(1-methylpyrazol-4-yl)oxymethyl]pyridine
CID 116794145
N-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine
CID 115464481
2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63061350
1-methyl-4-(2-phenoxyethoxy)pyrazole
CID 115753034
2-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine
CID 116793754
3-chloro-4-[(1-methylpyrazol-4-yl)oxymethyl]pyridine
CID 116794133
N-[2-[2-[[(E)-but-2-enoxy]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 115464424

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[2-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]ethyl]propan-2-amine (CID 116793677) is 2-methyl-N-[2-[2-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[2-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]ethyl]propan-2-amine is Cn1cc(OCc2ccccc2CCNC(C)(C)C)cn1.
What is the InChIKey of 2-methyl-N-[2-[2-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]ethyl]propan-2-amine?
The InChIKey is DAVPPNAOQRXCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-17(2,3)18-10-9-14-7-5-6-8-15(14)13-21-16-11-19-20(4)12-16/h5-8,11-12,18H,9-10,13H2,1-4H3.
What are the key properties of 2-methyl-N-[2-[2-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]ethyl]propan-2-amine?
2-methyl-N-[2-[2-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]ethyl]propan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 116793677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).