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

C15H24N2O2 — CID 117415768

IUPAC2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-2-amine
SMILESCOc1cc(C(C)(C)N)ccc1OC1CCN(C)C1
InChIInChI=1S/C15H24N2O2/c1-15(2,16)11-5-6-13(14(9-11)18-4)19-12-7-8-17(3)10-12/h5-6,9,12H,7-8,10,16H2,1-4H3
InChIKeyBCZBUDDYIZSTKT-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.97
Rot. Bonds4

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

2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-2-amine (PubChem CID 117415768) 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-2-amine.

Molecular Properties

Compound Name2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-2-amine
PubChem CID117415768
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-2-amine
SMILESCOc1cc(C(C)(C)N)ccc1OC1CCN(C)C1
InChIInChI=1S/C15H24N2O2/c1-15(2,16)11-5-6-13(14(9-11)18-4)19-12-7-8-17(3)10-12/h5-6,9,12H,7-8,10,16H2,1-4H3
InChIKeyBCZBUDDYIZSTKT-UHFFFAOYSA-N
XLogP1.97
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropan-1-ol
CID 117448315
2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-1-amine
CID 117415732
2-[4-methoxy-3-(thian-3-yloxy)phenyl]propan-2-amine
CID 117451953
3-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2,2-dimethylpropanoic acid
CID 117492369
O-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine
CID 117420170
1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine
CID 115005056
O-[2-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]ethyl]hydroxylamine
CID 117450339
2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propan-2-amine
CID 117343498
4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine
CID 117465913
2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline
CID 67208572
3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]butanal
CID 117444459
[3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117489651

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-2-amine?
The IUPAC name of 2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-2-amine (CID 117415768) is 2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-2-amine.
What is the SMILES notation for 2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-2-amine?
The canonical SMILES for 2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-2-amine is COc1cc(C(C)(C)N)ccc1OC1CCN(C)C1.
What is the InChIKey of 2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-2-amine?
The InChIKey is BCZBUDDYIZSTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,16)11-5-6-13(14(9-11)18-4)19-12-7-8-17(3)10-12/h5-6,9,12H,7-8,10,16H2,1-4H3.
What are the key properties of 2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-2-amine?
2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-2-amine has a molecular weight of 264.37 g/mol, XLogP of 1.97, 4 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-2-amine is sourced from PubChem (CID 117415768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).