3-methoxy-2-(3-phenylpyrrolidin-1-yl)-N-propylpropan-1-amine

C17H28N2O — CID 103225133

IUPAC3-methoxy-2-(3-phenylpyrrolidin-1-yl)-N-propylpropan-1-amine
SMILESCCCNCC(COC)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-3-10-18-12-17(14-20-2)19-11-9-16(13-19)15-7-5-4-6-8-15/h4-8,16-18H,3,9-14H2,1-2H3
InChIKeyZUKDZXFDZQRTTL-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.49
Rot. Bonds8

About 3-methoxy-2-(3-phenylpyrrolidin-1-yl)-N-propylpropan-1-amine

3-methoxy-2-(3-phenylpyrrolidin-1-yl)-N-propylpropan-1-amine (PubChem CID 103225133) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-methoxy-2-(3-phenylpyrrolidin-1-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-(3-phenylpyrrolidin-1-yl)-N-propylpropan-1-amine
PubChem CID103225133
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-methoxy-2-(3-phenylpyrrolidin-1-yl)-N-propylpropan-1-amine
SMILESCCCNCC(COC)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-3-10-18-12-17(14-20-2)19-11-9-16(13-19)15-7-5-4-6-8-15/h4-8,16-18H,3,9-14H2,1-2H3
InChIKeyZUKDZXFDZQRTTL-UHFFFAOYSA-N
XLogP2.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 103226498
N,N-diethyl-1-[1-methoxy-3-(propylamino)propan-2-yl]pyrrolidin-3-amine
CID 103226506
2-(4-tert-butylpiperidin-1-yl)-3-methoxy-N-propylpropan-1-amine
CID 103225146
3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine
CID 103227415
3-methoxy-2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 103226527
1-(2-methoxyethylamino)-3-(3-phenylpyrrolidin-1-yl)propan-2-ol
CID 115475222
2-(4-ethyl-3-methylpiperazin-1-yl)-3-methoxy-N-propylpropan-1-amine
CID 103226580
methyl (2S)-2-[(3R)-3-phenylpyrrolidin-1-yl]butanoate
CID 52534456
3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
2-methyl-N-(2-methylpropyl)-3-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 81012350
ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate
CID 62070395
3-(3-phenylpyrrolidin-1-yl)-N-propan-2-ylbutan-1-amine
CID 62413169

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(3-phenylpyrrolidin-1-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-methoxy-2-(3-phenylpyrrolidin-1-yl)-N-propylpropan-1-amine (CID 103225133) is 3-methoxy-2-(3-phenylpyrrolidin-1-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-methoxy-2-(3-phenylpyrrolidin-1-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-methoxy-2-(3-phenylpyrrolidin-1-yl)-N-propylpropan-1-amine is CCCNCC(COC)N1CCC(c2ccccc2)C1.
What is the InChIKey of 3-methoxy-2-(3-phenylpyrrolidin-1-yl)-N-propylpropan-1-amine?
The InChIKey is ZUKDZXFDZQRTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-10-18-12-17(14-20-2)19-11-9-16(13-19)15-7-5-4-6-8-15/h4-8,16-18H,3,9-14H2,1-2H3.
What are the key properties of 3-methoxy-2-(3-phenylpyrrolidin-1-yl)-N-propylpropan-1-amine?
3-methoxy-2-(3-phenylpyrrolidin-1-yl)-N-propylpropan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(3-phenylpyrrolidin-1-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 103225133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).