[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine

C13H20N2O2 — CID 115004761

IUPAC[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
SMILESCOc1c(CN)cccc1OC1CCN(C)C1
InChIInChI=1S/C13H20N2O2/c1-15-7-6-11(9-15)17-12-5-3-4-10(8-14)13(12)16-2/h3-5,11H,6-9,14H2,1-2H3
InChIKeyXLHRZZGOQFYMKI-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.24
Rot. Bonds4

About [2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine

[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine (PubChem CID 115004761) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
PubChem CID115004761
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
SMILESCOc1c(CN)cccc1OC1CCN(C)C1
InChIInChI=1S/C13H20N2O2/c1-15-7-6-11(9-15)17-12-5-3-4-10(8-14)13(12)16-2/h3-5,11H,6-9,14H2,1-2H3
InChIKeyXLHRZZGOQFYMKI-UHFFFAOYSA-N
XLogP1.24
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine
CID 117469461
[3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine
CID 117052051
[1-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclobutyl]methanamine
CID 117469400
N-[[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine
CID 117420155
2-[2-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine
CID 117095351
2-methoxy-3-(1-methylpyrrolidin-3-yl)oxybenzoic acid
CID 115005109
[1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine
CID 117489833
(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
CID 117052585
2-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpyrrolidine
CID 117469494
4-[2-(1-methylpiperidin-3-yl)oxyphenyl]butan-1-amine
CID 117411224
3-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]propanal
CID 117444674

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine?
The IUPAC name of [2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine (CID 115004761) is [2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine.
What is the SMILES notation for [2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine?
The canonical SMILES for [2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine is COc1c(CN)cccc1OC1CCN(C)C1.
What is the InChIKey of [2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine?
The InChIKey is XLHRZZGOQFYMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15-7-6-11(9-15)17-12-5-3-4-10(8-14)13(12)16-2/h3-5,11H,6-9,14H2,1-2H3.
What are the key properties of [2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine?
[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine has a molecular weight of 236.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine is sourced from PubChem (CID 115004761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).