[3-methyl-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine

C17H22N4O — CID 120780919

IUPAC[3-methyl-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(Cc2ccc(Oc3cnccn3)cc2)C1
InChIInChI=1S/C17H22N4O/c1-17(12-18)6-9-21(13-17)11-14-2-4-15(5-3-14)22-16-10-19-7-8-20-16/h2-5,7-8,10H,6,9,11-13,18H2,1H3
InChIKeyMUJOVPMDEZMCAY-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.44
Rot. Bonds5

About [3-methyl-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine

[3-methyl-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 120780919) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is [3-methyl-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID120780919
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name[3-methyl-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(Cc2ccc(Oc3cnccn3)cc2)C1
InChIInChI=1S/C17H22N4O/c1-17(12-18)6-9-21(13-17)11-14-2-4-15(5-3-14)22-16-10-19-7-8-20-16/h2-5,7-8,10H,6,9,11-13,18H2,1H3
InChIKeyMUJOVPMDEZMCAY-UHFFFAOYSA-N
XLogP2.44
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-pyrazin-2-yloxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908350
[3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120773051
[3-methyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120772784
[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034
ethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenoxy]acetate
CID 120780403
[1-[(4-tert-butylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771872
[1-[(6-methoxynaphthalen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780544
[3-methyl-1-[(2-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
CID 120773386
[3-methyl-1-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120780374
2-(4-pyrazin-2-yloxyphenoxy)pyrazine
CID 101444877
2-[4-[[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methyl]phenoxy]pyrazine
CID 97160514
[1-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781185

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [3-methyl-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine (CID 120780919) is [3-methyl-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-methyl-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-methyl-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine is CC1(CN)CCN(Cc2ccc(Oc3cnccn3)cc2)C1.
What is the InChIKey of [3-methyl-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is MUJOVPMDEZMCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-17(12-18)6-9-21(13-17)11-14-2-4-15(5-3-14)22-16-10-19-7-8-20-16/h2-5,7-8,10H,6,9,11-13,18H2,1H3.
What are the key properties of [3-methyl-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine?
[3-methyl-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 298.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120780919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).