1-(3-methoxy-4-phenylmethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine

C20H23N3O2 — CID 119110162

IUPAC1-(3-methoxy-4-phenylmethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESCOc1cc(C(C)NCc2ccn[nH]2)ccc1OCc1ccccc1
InChIInChI=1S/C20H23N3O2/c1-15(21-13-18-10-11-22-23-18)17-8-9-19(20(12-17)24-2)25-14-16-6-4-3-5-7-16/h3-12,15,21H,13-14H2,1-2H3,(H,22,23)
InChIKeyWPPKBMSQUCDCHJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.85
Rot. Bonds8

About 1-(3-methoxy-4-phenylmethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine

1-(3-methoxy-4-phenylmethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine (PubChem CID 119110162) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(3-methoxy-4-phenylmethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-methoxy-4-phenylmethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
PubChem CID119110162
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-(3-methoxy-4-phenylmethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESCOc1cc(C(C)NCc2ccn[nH]2)ccc1OCc1ccccc1
InChIInChI=1S/C20H23N3O2/c1-15(21-13-18-10-11-22-23-18)17-8-9-19(20(12-17)24-2)25-14-16-6-4-3-5-7-16/h3-12,15,21H,13-14H2,1-2H3,(H,22,23)
InChIKeyWPPKBMSQUCDCHJ-UHFFFAOYSA-N
XLogP3.85
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-[1-(1H-pyrazol-5-ylmethylamino)ethyl]phenol
CID 61284476
1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 51086161
(1S)-1-(4-methoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 81370559
N-ethyl-1-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 43279469
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 51084955
3-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 47067149
1-(3-methoxy-4-phenylmethoxyphenyl)-N-propylpropan-1-amine
CID 133207496
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)-3-methylbutan-1-amine
CID 171234157
1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 55109973
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 54848825
(1R)-N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylethanamine
CID 7582626

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-phenylmethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The IUPAC name of 1-(3-methoxy-4-phenylmethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine (CID 119110162) is 1-(3-methoxy-4-phenylmethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3-methoxy-4-phenylmethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(3-methoxy-4-phenylmethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine is COc1cc(C(C)NCc2ccn[nH]2)ccc1OCc1ccccc1.
What is the InChIKey of 1-(3-methoxy-4-phenylmethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The InChIKey is WPPKBMSQUCDCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15(21-13-18-10-11-22-23-18)17-8-9-19(20(12-17)24-2)25-14-16-6-4-3-5-7-16/h3-12,15,21H,13-14H2,1-2H3,(H,22,23).
What are the key properties of 1-(3-methoxy-4-phenylmethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
1-(3-methoxy-4-phenylmethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine has a molecular weight of 337.42 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-phenylmethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 119110162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).