[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine

C13H20N2O — CID 103531169

IUPAC[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine
SMILESCOC1CCN(Cc2ccc(CN)cc2)C1
InChIInChI=1S/C13H20N2O/c1-16-13-6-7-15(10-13)9-12-4-2-11(8-14)3-5-12/h2-5,13H,6-10,14H2,1H3
InChIKeyJJFUCDPTVSXSBR-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.37
Rot. Bonds4

About [4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine

[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine (PubChem CID 103531169) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine
PubChem CID103531169
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine
SMILESCOC1CCN(Cc2ccc(CN)cc2)C1
InChIInChI=1S/C13H20N2O/c1-16-13-6-7-15(10-13)9-12-4-2-11(8-14)3-5-12/h2-5,13H,6-10,14H2,1H3
InChIKeyJJFUCDPTVSXSBR-UHFFFAOYSA-N
XLogP1.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine (CID 103531169) is [4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine is COC1CCN(Cc2ccc(CN)cc2)C1.
What is the InChIKey of [4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine?
The InChIKey is JJFUCDPTVSXSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-13-6-7-15(10-13)9-12-4-2-11(8-14)3-5-12/h2-5,13H,6-10,14H2,1H3.
What are the key properties of [4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine?
[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 103531169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).