5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-2-amine

C16H26N2O — CID 81102007

IUPAC5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-2-amine
SMILESCOCCCC(N)CN1CCC(c2ccccc2)C1
InChIInChI=1S/C16H26N2O/c1-19-11-5-8-16(17)13-18-10-9-15(12-18)14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13,17H2,1H3
InChIKeyVMYYNFALZWHDNF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.23
Rot. Bonds7

About 5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-2-amine

5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-2-amine (PubChem CID 81102007) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-2-amine.

Molecular Properties

Compound Name5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-2-amine
PubChem CID81102007
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-2-amine
SMILESCOCCCC(N)CN1CCC(c2ccccc2)C1
InChIInChI=1S/C16H26N2O/c1-19-11-5-8-16(17)13-18-10-9-15(12-18)14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13,17H2,1H3
InChIKeyVMYYNFALZWHDNF-UHFFFAOYSA-N
XLogP2.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.23
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

2-amino-5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
CID 81088436
1-(2-methoxyethylamino)-3-(3-phenylpyrrolidin-1-yl)propan-2-ol
CID 115475222
2-amino-3-(3-phenylpyrrolidin-1-yl)propanenitrile
CID 62131596
N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95147881
(3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 95299881
2-methyl-3-(3-phenylpyrrolidin-1-yl)propanenitrile
CID 62131750
2-methoxy-4-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 103152450
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methoxypentan-2-amine
CID 81102152
1-[1-(azepan-1-yl)-2-(3-phenylpyrrolidin-1-yl)ethyl]azepane
CID 67642136
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-methoxypentan-2-amine
CID 102726953
5-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)pentan-2-amine
CID 81101497
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 94824860

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-2-amine?
The IUPAC name of 5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-2-amine (CID 81102007) is 5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-2-amine.
What is the SMILES notation for 5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-2-amine?
The canonical SMILES for 5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-2-amine is COCCCC(N)CN1CCC(c2ccccc2)C1.
What is the InChIKey of 5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-2-amine?
The InChIKey is VMYYNFALZWHDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-19-11-5-8-16(17)13-18-10-9-15(12-18)14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13,17H2,1H3.
What are the key properties of 5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-2-amine?
5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-2-amine is sourced from PubChem (CID 81102007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).