2-methoxy-4-(3-phenylpyrrolidin-1-yl)butan-1-amine

C15H24N2O — CID 103152450

IUPAC2-methoxy-4-(3-phenylpyrrolidin-1-yl)butan-1-amine
SMILESCOC(CN)CCN1CCC(c2ccccc2)C1
InChIInChI=1S/C15H24N2O/c1-18-15(11-16)8-10-17-9-7-14(12-17)13-5-3-2-4-6-13/h2-6,14-15H,7-12,16H2,1H3
InChIKeyOIEUXVHJFLJYQJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.84
Rot. Bonds6

About 2-methoxy-4-(3-phenylpyrrolidin-1-yl)butan-1-amine

2-methoxy-4-(3-phenylpyrrolidin-1-yl)butan-1-amine (PubChem CID 103152450) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-methoxy-4-(3-phenylpyrrolidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-methoxy-4-(3-phenylpyrrolidin-1-yl)butan-1-amine
PubChem CID103152450
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-methoxy-4-(3-phenylpyrrolidin-1-yl)butan-1-amine
SMILESCOC(CN)CCN1CCC(c2ccccc2)C1
InChIInChI=1S/C15H24N2O/c1-18-15(11-16)8-10-17-9-7-14(12-17)13-5-3-2-4-6-13/h2-6,14-15H,7-12,16H2,1H3
InChIKeyOIEUXVHJFLJYQJ-UHFFFAOYSA-N
XLogP1.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 65247484
4-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 103155063
(3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 95299881
2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentan-1-amine
CID 65254158
1-(2-chloroethyl)-3-phenylpyrrolidine
CID 62133780
6-(3-phenylpyrrolidin-1-yl)hexan-2-ol
CID 62133412
4-phenyl-1-(3-phenylbutyl)piperidine
CID 54520789
5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-2-amine
CID 81102007
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410
2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine
CID 55069157
9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol
CID 105343948
2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanethioamide
CID 65248920

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(3-phenylpyrrolidin-1-yl)butan-1-amine?
The IUPAC name of 2-methoxy-4-(3-phenylpyrrolidin-1-yl)butan-1-amine (CID 103152450) is 2-methoxy-4-(3-phenylpyrrolidin-1-yl)butan-1-amine.
What is the SMILES notation for 2-methoxy-4-(3-phenylpyrrolidin-1-yl)butan-1-amine?
The canonical SMILES for 2-methoxy-4-(3-phenylpyrrolidin-1-yl)butan-1-amine is COC(CN)CCN1CCC(c2ccccc2)C1.
What is the InChIKey of 2-methoxy-4-(3-phenylpyrrolidin-1-yl)butan-1-amine?
The InChIKey is OIEUXVHJFLJYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-18-15(11-16)8-10-17-9-7-14(12-17)13-5-3-2-4-6-13/h2-6,14-15H,7-12,16H2,1H3.
What are the key properties of 2-methoxy-4-(3-phenylpyrrolidin-1-yl)butan-1-amine?
2-methoxy-4-(3-phenylpyrrolidin-1-yl)butan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(3-phenylpyrrolidin-1-yl)butan-1-amine is sourced from PubChem (CID 103152450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).