1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol

C13H20N2O2 — CID 62264924

IUPAC1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
SMILESNc1cccc(C(O)CN2CCCC2CO)c1
InChIInChI=1S/C13H20N2O2/c14-11-4-1-3-10(7-11)13(17)8-15-6-2-5-12(15)9-16/h1,3-4,7,12-13,16-17H,2,5-6,8-9,14H2
InChIKeyQKDBSZYOKQSFDP-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.76
Rot. Bonds4

About 1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol

1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol (PubChem CID 62264924) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
PubChem CID62264924
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
SMILESNc1cccc(C(O)CN2CCCC2CO)c1
InChIInChI=1S/C13H20N2O2/c14-11-4-1-3-10(7-11)13(17)8-15-6-2-5-12(15)9-16/h1,3-4,7,12-13,16-17H,2,5-6,8-9,14H2
InChIKeyQKDBSZYOKQSFDP-UHFFFAOYSA-N
XLogP0.76
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-aminophenyl)ethanol
CID 102725506
1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 62265580
[1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407137
(1R)-1-(3,4-difluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 95334420
[(2R)-1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 70142040
1-(3-aminophenyl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanol
CID 62264751
1-(3-aminophenyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
CID 79940896
1-(3-aminophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 62264397
2-(3-aminophenyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 107210059
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-aminophenyl)ethanol
CID 79940161
N-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 61407514
1-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)ethanol
CID 62265432

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol (CID 62264924) is 1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol is Nc1cccc(C(O)CN2CCCC2CO)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol?
The InChIKey is QKDBSZYOKQSFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c14-11-4-1-3-10(7-11)13(17)8-15-6-2-5-12(15)9-16/h1,3-4,7,12-13,16-17H,2,5-6,8-9,14H2.
What are the key properties of 1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol?
1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol has a molecular weight of 236.31 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 62264924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).