2-(2,5-dimethylpyrazol-3-yl)-2-(3-phenoxyphenyl)ethanamine

C19H21N3O — CID 83986622

IUPAC2-(2,5-dimethylpyrazol-3-yl)-2-(3-phenoxyphenyl)ethanamine
SMILESCc1cc(C(CN)c2cccc(Oc3ccccc3)c2)n(C)n1
InChIInChI=1S/C19H21N3O/c1-14-11-19(22(2)21-14)18(13-20)15-7-6-10-17(12-15)23-16-8-4-3-5-9-16/h3-12,18H,13,20H2,1-2H3
InChIKeyBNTSEWSPZHTSOP-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.61
Rot. Bonds5

About 2-(2,5-dimethylpyrazol-3-yl)-2-(3-phenoxyphenyl)ethanamine

2-(2,5-dimethylpyrazol-3-yl)-2-(3-phenoxyphenyl)ethanamine (PubChem CID 83986622) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-2-(3-phenoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-2-(3-phenoxyphenyl)ethanamine
PubChem CID83986622
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-2-(3-phenoxyphenyl)ethanamine
SMILESCc1cc(C(CN)c2cccc(Oc3ccccc3)c2)n(C)n1
InChIInChI=1S/C19H21N3O/c1-14-11-19(22(2)21-14)18(13-20)15-7-6-10-17(12-15)23-16-8-4-3-5-9-16/h3-12,18H,13,20H2,1-2H3
InChIKeyBNTSEWSPZHTSOP-UHFFFAOYSA-N
XLogP3.61
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylpyrazol-3-yl)-phenylmethanol
CID 105076375
3-(4-methylphenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 83973436
3-amino-2-(2,5-dimethylpyrazol-3-yl)propanoic acid
CID 82601652
(1R)-1-(3-phenoxyphenyl)propane-1,3-diamine
CID 171200508
2-cyclohexyl-2-(3-phenoxyphenyl)ethanamine
CID 83973421
2-(2,5-dimethylpyrazol-3-yl)butan-1-amine
CID 83827000
2-(4-methoxy-3-methylphenyl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine
CID 83986832
2-(3-phenoxyphenyl)butanoic acid
CID 69314878
1-[3-(1,3,5-trimethylpyrazol-4-yl)oxyphenyl]ethanamine
CID 79167110
1-(3-phenoxyphenyl)ethanol
CID 12882419
3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine
CID 83973441
(1R)-2-fluoro-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220046

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-2-(3-phenoxyphenyl)ethanamine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-2-(3-phenoxyphenyl)ethanamine (CID 83986622) is 2-(2,5-dimethylpyrazol-3-yl)-2-(3-phenoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-2-(3-phenoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-2-(3-phenoxyphenyl)ethanamine is Cc1cc(C(CN)c2cccc(Oc3ccccc3)c2)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-2-(3-phenoxyphenyl)ethanamine?
The InChIKey is BNTSEWSPZHTSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14-11-19(22(2)21-14)18(13-20)15-7-6-10-17(12-15)23-16-8-4-3-5-9-16/h3-12,18H,13,20H2,1-2H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-2-(3-phenoxyphenyl)ethanamine?
2-(2,5-dimethylpyrazol-3-yl)-2-(3-phenoxyphenyl)ethanamine has a molecular weight of 307.40 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-2-(3-phenoxyphenyl)ethanamine is sourced from PubChem (CID 83986622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).