2-(4-phenylmethoxyphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine

C21H25N3O — CID 83986563

IUPAC2-(4-phenylmethoxyphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine
SMILESCC(C)c1cc(C(CN)c2ccc(OCc3ccccc3)cc2)[nH]n1
InChIInChI=1S/C21H25N3O/c1-15(2)20-12-21(24-23-20)19(13-22)17-8-10-18(11-9-17)25-14-16-6-4-3-5-7-16/h3-12,15,19H,13-14,22H2,1-2H3,(H,23,24)
InChIKeyGNRHTDOECGITSL-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.20
Rot. Bonds7

About 2-(4-phenylmethoxyphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine

2-(4-phenylmethoxyphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine (PubChem CID 83986563) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine
PubChem CID83986563
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-(4-phenylmethoxyphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine
SMILESCC(C)c1cc(C(CN)c2ccc(OCc3ccccc3)cc2)[nH]n1
InChIInChI=1S/C21H25N3O/c1-15(2)20-12-21(24-23-20)19(13-22)17-8-10-18(11-9-17)25-14-16-6-4-3-5-7-16/h3-12,15,19H,13-14,22H2,1-2H3,(H,23,24)
InChIKeyGNRHTDOECGITSL-UHFFFAOYSA-N
XLogP4.20
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylmethoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62066972
1-(4-phenylmethoxyphenyl)ethanethiol
CID 43124131
(1S)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243441
(1R)-1-(4-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171211160
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
1-(3-bromopentan-2-yl)-4-phenylmethoxybenzene
CID 79308109
(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171230787
(1R)-1-(4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171211172
2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine
CID 16642929
(1R)-1-(4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171211164
methyl-tris(4-phenylmethoxyphenyl)silane
CID 90283739
1-(3-methyl-1-propan-2-yloxybutan-2-yl)-4-phenylmethoxybenzene
CID 58499092

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine?
The IUPAC name of 2-(4-phenylmethoxyphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine (CID 83986563) is 2-(4-phenylmethoxyphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-phenylmethoxyphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-phenylmethoxyphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine is CC(C)c1cc(C(CN)c2ccc(OCc3ccccc3)cc2)[nH]n1.
What is the InChIKey of 2-(4-phenylmethoxyphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine?
The InChIKey is GNRHTDOECGITSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-15(2)20-12-21(24-23-20)19(13-22)17-8-10-18(11-9-17)25-14-16-6-4-3-5-7-16/h3-12,15,19H,13-14,22H2,1-2H3,(H,23,24).
What are the key properties of 2-(4-phenylmethoxyphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine?
2-(4-phenylmethoxyphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine has a molecular weight of 335.45 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine is sourced from PubChem (CID 83986563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).