[3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine

C19H25N3O — CID 120773051

IUPAC[3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(Cc2ccc(OCc3ccccn3)cc2)C1
InChIInChI=1S/C19H25N3O/c1-19(14-20)9-11-22(15-19)12-16-5-7-18(8-6-16)23-13-17-4-2-3-10-21-17/h2-8,10H,9,11-15,20H2,1H3
InChIKeyXQXJZXNLANSXMR-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.83
Rot. Bonds6

About [3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine

[3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine (PubChem CID 120773051) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is [3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
PubChem CID120773051
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name[3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(Cc2ccc(OCc3ccccn3)cc2)C1
InChIInChI=1S/C19H25N3O/c1-19(14-20)9-11-22(15-19)12-16-5-7-18(8-6-16)23-13-17-4-2-3-10-21-17/h2-8,10H,9,11-15,20H2,1H3
InChIKeyXQXJZXNLANSXMR-UHFFFAOYSA-N
XLogP2.83
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methyl-1-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120780374
[1-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780454
3-[(4,4-difluoropiperidin-1-yl)methyl]-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 132772030
4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol
CID 46965816
[3-methyl-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 120780919
[3-methyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120772784
ethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenoxy]acetate
CID 120780403
formic acid;4-methyl-9-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 171316787
4-(4-fluorophenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride
CID 171667363
[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034
[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 110908637
[1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780484

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine (CID 120773051) is [3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine is CC1(CN)CCN(Cc2ccc(OCc3ccccn3)cc2)C1.
What is the InChIKey of [3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is XQXJZXNLANSXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-19(14-20)9-11-22(15-19)12-16-5-7-18(8-6-16)23-13-17-4-2-3-10-21-17/h2-8,10H,9,11-15,20H2,1H3.
What are the key properties of [3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine?
[3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 311.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120773051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).