2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-1-amine

C15H24N2O2 — CID 117415732

IUPAC2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-1-amine
SMILESCOc1cc(C(C)CN)ccc1OC1CCN(C)C1
InChIInChI=1S/C15H24N2O2/c1-11(9-16)12-4-5-14(15(8-12)18-3)19-13-6-7-17(2)10-13/h4-5,8,11,13H,6-7,9-10,16H2,1-3H3
InChIKeyPNVOZKPQZUCIDY-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.84
Rot. Bonds5

About 2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-1-amine

2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-1-amine (PubChem CID 117415732) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-1-amine.

Molecular Properties

Compound Name2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-1-amine
PubChem CID117415732
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-1-amine
SMILESCOc1cc(C(C)CN)ccc1OC1CCN(C)C1
InChIInChI=1S/C15H24N2O2/c1-11(9-16)12-4-5-14(15(8-12)18-3)19-13-6-7-17(2)10-13/h4-5,8,11,13H,6-7,9-10,16H2,1-3H3
InChIKeyPNVOZKPQZUCIDY-UHFFFAOYSA-N
XLogP1.84
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]butanal
CID 117444459
3-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]butan-1-amine
CID 117415717
1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine
CID 115005056
2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine
CID 117422309
2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-amine
CID 117451975
2-[3-methoxy-4-(thian-3-yloxy)phenyl]propan-1-amine
CID 117451976
2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005127
2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]propanoic acid
CID 117447790
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343381
2-amino-2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]acetic acid
CID 117450060
3-amino-3-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117493373
2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-2-amine
CID 117415768

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-1-amine?
The IUPAC name of 2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-1-amine (CID 117415732) is 2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-1-amine.
What is the SMILES notation for 2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-1-amine?
The canonical SMILES for 2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-1-amine is COc1cc(C(C)CN)ccc1OC1CCN(C)C1.
What is the InChIKey of 2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-1-amine?
The InChIKey is PNVOZKPQZUCIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(9-16)12-4-5-14(15(8-12)18-3)19-13-6-7-17(2)10-13/h4-5,8,11,13H,6-7,9-10,16H2,1-3H3.
What are the key properties of 2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-1-amine?
2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-1-amine is sourced from PubChem (CID 117415732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).