1-(4-methylphenoxy)-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine

C15H21N3O — CID 61168691

IUPAC1-(4-methylphenoxy)-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine
SMILESCc1ccc(OCC(C)NCc2ccnn2C)cc1
InChIInChI=1S/C15H21N3O/c1-12-4-6-15(7-5-12)19-11-13(2)16-10-14-8-9-17-18(14)3/h4-9,13,16H,10-11H2,1-3H3
InChIKeyHJYJVADOCXUIDK-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.29
Rot. Bonds6

About 1-(4-methylphenoxy)-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine

1-(4-methylphenoxy)-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine (PubChem CID 61168691) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(4-methylphenoxy)-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-methylphenoxy)-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine
PubChem CID61168691
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(4-methylphenoxy)-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine
SMILESCc1ccc(OCC(C)NCc2ccnn2C)cc1
InChIInChI=1S/C15H21N3O/c1-12-4-6-15(7-5-12)19-11-13(2)16-10-14-8-9-17-18(14)3/h4-9,13,16H,10-11H2,1-3H3
InChIKeyHJYJVADOCXUIDK-UHFFFAOYSA-N
XLogP2.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115671266
1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43714916
1-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 61167930
N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine
CID 63011246
1-(3,5-dimethylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 79479697
N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 79420610
2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol
CID 61166956
1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19618976
N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 63452448
3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]benzene-1,2-diol
CID 61319932
N-[(3,4-difluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 61167924
(E)-4-chloro-N-[1-(4-methylphenoxy)propan-2-yl]but-2-en-1-amine
CID 81430543

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenoxy)-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine?
The IUPAC name of 1-(4-methylphenoxy)-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine (CID 61168691) is 1-(4-methylphenoxy)-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(4-methylphenoxy)-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(4-methylphenoxy)-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine is Cc1ccc(OCC(C)NCc2ccnn2C)cc1.
What is the InChIKey of 1-(4-methylphenoxy)-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine?
The InChIKey is HJYJVADOCXUIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12-4-6-15(7-5-12)19-11-13(2)16-10-14-8-9-17-18(14)3/h4-9,13,16H,10-11H2,1-3H3.
What are the key properties of 1-(4-methylphenoxy)-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine?
1-(4-methylphenoxy)-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenoxy)-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 61168691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).