2-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanamine

C15H21N3O — CID 82876258

IUPAC2-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanamine
SMILESCc1cc(CCN)cc(C)c1OCc1ccn(C)n1
InChIInChI=1S/C15H21N3O/c1-11-8-13(4-6-16)9-12(2)15(11)19-10-14-5-7-18(3)17-14/h5,7-9H,4,6,10,16H2,1-3H3
InChIKeySBIKPUFJAOZZSL-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.12
Rot. Bonds5

About 2-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanamine

2-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanamine (PubChem CID 82876258) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanamine
PubChem CID82876258
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanamine
SMILESCc1cc(CCN)cc(C)c1OCc1ccn(C)n1
InChIInChI=1S/C15H21N3O/c1-11-8-13(4-6-16)9-12(2)15(11)19-10-14-5-7-18(3)17-14/h5,7-9H,4,6,10,16H2,1-3H3
InChIKeySBIKPUFJAOZZSL-UHFFFAOYSA-N
XLogP2.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine
CID 82878160
3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]benzonitrile
CID 82866204
3-methyl-2-[(1-methylpyrazol-3-yl)methoxy]aniline
CID 82865663
2-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 63421326
2-[4-[(4-iodophenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 65477113
[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 82866670
2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylphenyl]ethanamine
CID 66188973
3-[(4-bromo-3-methylphenoxy)methyl]-1-methylpyrazole
CID 83133039
2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 114348464
3-bromo-2-[(1-methylpyrazol-3-yl)methoxy]aniline
CID 82865662
N-[[3,5-dibromo-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 107742010
2-[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]ethanamine
CID 105350387

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanamine (CID 82876258) is 2-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanamine is Cc1cc(CCN)cc(C)c1OCc1ccn(C)n1.
What is the InChIKey of 2-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanamine?
The InChIKey is SBIKPUFJAOZZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-8-13(4-6-16)9-12(2)15(11)19-10-14-5-7-18(3)17-14/h5,7-9H,4,6,10,16H2,1-3H3.
What are the key properties of 2-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanamine?
2-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 82876258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).