(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol

C15H24N2O — CID 114986909

IUPAC(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol
SMILESC[C@H](CO)NC1CCN(CCc2ccccc2)C1
InChIInChI=1S/C15H24N2O/c1-13(12-18)16-15-8-10-17(11-15)9-7-14-5-3-2-4-6-14/h2-6,13,15-16,18H,7-12H2,1H3/t13-,15?/m1/s1
InChIKeyXOGBDKRJSSWZPP-AFYYWNPRSA-N
MW248.37 g/mol
LogP1.27
Rot. Bonds6

About (2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol

(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol (PubChem CID 114986909) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol
PubChem CID114986909
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol
SMILESC[C@H](CO)NC1CCN(CCc2ccccc2)C1
InChIInChI=1S/C15H24N2O/c1-13(12-18)16-15-8-10-17(11-15)9-7-14-5-3-2-4-6-14/h2-6,13,15-16,18H,7-12H2,1H3/t13-,15?/m1/s1
InChIKeyXOGBDKRJSSWZPP-AFYYWNPRSA-N
XLogP1.27
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol
CID 115677253
N-heptan-2-yl-1-(2-phenylethyl)pyrrolidin-3-amine
CID 61211193
2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol
CID 43499736
(2R)-2-[[(3S)-1-benzylpiperidin-3-yl]amino]propan-1-ol
CID 51697425
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
CID 61499758
(2S)-2-[[1-(2-phenylethyl)piperidin-4-yl]methylamino]propan-1-ol
CID 95130314
2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol
CID 65034212
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 61212508
1-methyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
CID 61461386
N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 64570465
5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol
CID 107267756

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol?
The IUPAC name of (2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol (CID 114986909) is (2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol?
The canonical SMILES for (2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol is C[C@H](CO)NC1CCN(CCc2ccccc2)C1.
What is the InChIKey of (2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol?
The InChIKey is XOGBDKRJSSWZPP-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13(12-18)16-15-8-10-17(11-15)9-7-14-5-3-2-4-6-14/h2-6,13,15-16,18H,7-12H2,1H3/t13-,15?/m1/s1.
What are the key properties of (2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol?
(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol is sourced from PubChem (CID 114986909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).