1-(3-methoxypyrrolidin-1-yl)-1-phenylpropan-2-amine

C14H22N2O — CID 103530869

IUPAC1-(3-methoxypyrrolidin-1-yl)-1-phenylpropan-2-amine
SMILESCOC1CCN(C(c2ccccc2)C(C)N)C1
InChIInChI=1S/C14H22N2O/c1-11(15)14(12-6-4-3-5-7-12)16-9-8-13(10-16)17-2/h3-7,11,13-14H,8-10,15H2,1-2H3
InChIKeyONRCJQAIHMQXBS-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.80
Rot. Bonds4

About 1-(3-methoxypyrrolidin-1-yl)-1-phenylpropan-2-amine

1-(3-methoxypyrrolidin-1-yl)-1-phenylpropan-2-amine (PubChem CID 103530869) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(3-methoxypyrrolidin-1-yl)-1-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(3-methoxypyrrolidin-1-yl)-1-phenylpropan-2-amine
PubChem CID103530869
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(3-methoxypyrrolidin-1-yl)-1-phenylpropan-2-amine
SMILESCOC1CCN(C(c2ccccc2)C(C)N)C1
InChIInChI=1S/C14H22N2O/c1-11(15)14(12-6-4-3-5-7-12)16-9-8-13(10-16)17-2/h3-7,11,13-14H,8-10,15H2,1-2H3
InChIKeyONRCJQAIHMQXBS-UHFFFAOYSA-N
XLogP1.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxypyrrolidin-1-yl)-1-thiophen-3-ylpropan-2-amine
CID 103530823
1-(3-bromophenyl)-1-(3-methoxypiperidin-1-yl)propan-2-amine
CID 102956347
1-(2-amino-1-phenylpropyl)piperidin-3-ol
CID 55017645
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-2-amine
CID 115559024
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-phenylpropan-2-amine
CID 79940901
N-[2-(3-methoxypyrrolidin-1-yl)-2-phenylethyl]-2-methylpropan-2-amine
CID 103539682
2-(3-methylpyrrolidin-1-yl)-1,2-diphenylethanamine
CID 61226976
1-(3-fluorophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-2-amine
CID 64570224
2-(3-methoxypiperidin-1-yl)-3-methyl-1-phenylbutan-1-ol
CID 102966104
2-(2-amino-1-phenylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82857052
2-[3-(difluoromethyl)phenyl]-2-(4-methoxypiperidin-1-yl)ethanamine
CID 115526779
2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine
CID 135374431

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrrolidin-1-yl)-1-phenylpropan-2-amine?
The IUPAC name of 1-(3-methoxypyrrolidin-1-yl)-1-phenylpropan-2-amine (CID 103530869) is 1-(3-methoxypyrrolidin-1-yl)-1-phenylpropan-2-amine.
What is the SMILES notation for 1-(3-methoxypyrrolidin-1-yl)-1-phenylpropan-2-amine?
The canonical SMILES for 1-(3-methoxypyrrolidin-1-yl)-1-phenylpropan-2-amine is COC1CCN(C(c2ccccc2)C(C)N)C1.
What is the InChIKey of 1-(3-methoxypyrrolidin-1-yl)-1-phenylpropan-2-amine?
The InChIKey is ONRCJQAIHMQXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(15)14(12-6-4-3-5-7-12)16-9-8-13(10-16)17-2/h3-7,11,13-14H,8-10,15H2,1-2H3.
What are the key properties of 1-(3-methoxypyrrolidin-1-yl)-1-phenylpropan-2-amine?
1-(3-methoxypyrrolidin-1-yl)-1-phenylpropan-2-amine has a molecular weight of 234.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrrolidin-1-yl)-1-phenylpropan-2-amine is sourced from PubChem (CID 103530869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).