5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol

C17H28N2O — CID 107267756

IUPAC5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol
SMILESCC(O)CCCNC1CCN(CCc2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-15(20)6-5-11-18-17-10-13-19(14-17)12-9-16-7-3-2-4-8-16/h2-4,7-8,15,17-18,20H,5-6,9-14H2,1H3
InChIKeyLJSORHDFSSMTNJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.05
Rot. Bonds8

About 5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol

5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol (PubChem CID 107267756) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol
PubChem CID107267756
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol
SMILESCC(O)CCCNC1CCN(CCc2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-15(20)6-5-11-18-17-10-13-19(14-17)12-9-16-7-3-2-4-8-16/h2-4,7-8,15,17-18,20H,5-6,9-14H2,1H3
InChIKeyLJSORHDFSSMTNJ-UHFFFAOYSA-N
XLogP2.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]hexan-1-ol
CID 103922220
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 61212508
N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 64570465
1-phenyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 110901793
(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol
CID 114986909
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine
CID 61211753
N-(2,2-dimethoxyethyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 61212133
1-benzyl-N-(4-methylpentyl)piperidin-4-amine
CID 60744361
2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol
CID 115677253
N-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]acetamide
CID 61212881
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol?
The IUPAC name of 5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol (CID 107267756) is 5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol.
What is the SMILES notation for 5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol?
The canonical SMILES for 5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol is CC(O)CCCNC1CCN(CCc2ccccc2)C1.
What is the InChIKey of 5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol?
The InChIKey is LJSORHDFSSMTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-15(20)6-5-11-18-17-10-13-19(14-17)12-9-16-7-3-2-4-8-16/h2-4,7-8,15,17-18,20H,5-6,9-14H2,1H3.
What are the key properties of 5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol?
5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol has a molecular weight of 276.42 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol is sourced from PubChem (CID 107267756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).