1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine

C14H22N2O2 — CID 115005056

IUPAC1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine
SMILESCOc1ccc(C(C)N)cc1OC1CCN(C)C1
InChIInChI=1S/C14H22N2O2/c1-10(15)11-4-5-13(17-3)14(8-11)18-12-6-7-16(2)9-12/h4-5,8,10,12H,6-7,9,15H2,1-3H3
InChIKeyXFNJLFQRRZUBJW-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.80
Rot. Bonds4

About 1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine

1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine (PubChem CID 115005056) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine
PubChem CID115005056
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine
SMILESCOc1ccc(C(C)N)cc1OC1CCN(C)C1
InChIInChI=1S/C14H22N2O2/c1-10(15)11-4-5-13(17-3)14(8-11)18-12-6-7-16(2)9-12/h4-5,8,10,12H,6-7,9,15H2,1-3H3
InChIKeyXFNJLFQRRZUBJW-UHFFFAOYSA-N
XLogP1.80
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid
CID 117450060
2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]propanoic acid
CID 117447790
2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-1-amine
CID 117415732
1-[3-chloro-4-(1-methylpiperidin-4-yl)oxyphenyl]ethanamine
CID 62910695
3-amino-3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117493374
(1R)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethanamine
CID 30119294
3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]butanal
CID 117444459
1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclohexan-1-amine
CID 117489868
3-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropanoic acid
CID 117473404
1-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]propan-2-amine
CID 117446741
1-[3-bromo-4-(1-methylazetidin-3-yl)oxyphenyl]ethanamine
CID 117459164
3-amino-3-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117493373

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine?
The IUPAC name of 1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine (CID 115005056) is 1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine.
What is the SMILES notation for 1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine?
The canonical SMILES for 1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine is COc1ccc(C(C)N)cc1OC1CCN(C)C1.
What is the InChIKey of 1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine?
The InChIKey is XFNJLFQRRZUBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(15)11-4-5-13(17-3)14(8-11)18-12-6-7-16(2)9-12/h4-5,8,10,12H,6-7,9,15H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine?
1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine has a molecular weight of 250.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 115005056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).