1-(3-aminophenyl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanol

C17H21N3O — CID 62264751

IUPAC1-(3-aminophenyl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanol
SMILESNc1cccc(C(O)CN2CCCC2c2cccnc2)c1
InChIInChI=1S/C17H21N3O/c18-15-6-1-4-13(10-15)17(21)12-20-9-3-7-16(20)14-5-2-8-19-11-14/h1-2,4-6,8,10-11,16-17,21H,3,7,9,12,18H2
InChIKeyTVYHZYNLCZIXNB-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.53
Rot. Bonds4

About 1-(3-aminophenyl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanol

1-(3-aminophenyl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanol (PubChem CID 62264751) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanol
PubChem CID62264751
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-(3-aminophenyl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanol
SMILESNc1cccc(C(O)CN2CCCC2c2cccnc2)c1
InChIInChI=1S/C17H21N3O/c18-15-6-1-4-13(10-15)17(21)12-20-9-3-7-16(20)14-5-2-8-19-11-14/h1-2,4-6,8,10-11,16-17,21H,3,7,9,12,18H2
InChIKeyTVYHZYNLCZIXNB-UHFFFAOYSA-N
XLogP2.53
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-2-ol
CID 67495346
(2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol
CID 6540981
1-(4-aminophenyl)-2-(2-phenylpyrrolidin-1-yl)ethanol
CID 62266444
1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 62264924
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-aminophenyl)ethanol
CID 102725506
(1R)-1-(3-fluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 95308653
(1S)-1-(3-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 98757362
N-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanamine
CID 176918761
(1S)-1-phenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol
CID 11871008
3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
CID 59533117
3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
CID 91294184
3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine
CID 124758484

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanol (CID 62264751) is 1-(3-aminophenyl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanol is Nc1cccc(C(O)CN2CCCC2c2cccnc2)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanol?
The InChIKey is TVYHZYNLCZIXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-15-6-1-4-13(10-15)17(21)12-20-9-3-7-16(20)14-5-2-8-19-11-14/h1-2,4-6,8,10-11,16-17,21H,3,7,9,12,18H2.
What are the key properties of 1-(3-aminophenyl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanol?
1-(3-aminophenyl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanol has a molecular weight of 283.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanol is sourced from PubChem (CID 62264751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).