[2-(2-aminoethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C13H18N2O2 — CID 107217222

IUPAC[2-(2-aminoethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESNCCc1ccccc1C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C13H18N2O2/c14-7-5-10-3-1-2-4-12(10)13(17)15-8-6-11(16)9-15/h1-4,11,16H,5-9,14H2/t11-/m1/s1
InChIKeyXZJRQKUQSCQKBF-LLVKDONJSA-N
MW234.30 g/mol
LogP0.39
Rot. Bonds3

About [2-(2-aminoethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

[2-(2-aminoethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 107217222) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is [2-(2-aminoethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID107217222
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name[2-(2-aminoethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESNCCc1ccccc1C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C13H18N2O2/c14-7-5-10-3-1-2-4-12(10)13(17)15-8-6-11(16)9-15/h1-4,11,16H,5-9,14H2/t11-/m1/s1
InChIKeyXZJRQKUQSCQKBF-LLVKDONJSA-N
XLogP0.39
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-aminoethyl)phenyl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495362
[2-(2-aminoethyl)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66371214
[(3R)-3-hydroxypyrrolidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 111561150
[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(2-ethylphenyl)methanone
CID 56887256
(3-hydroxypyrrolidin-1-yl)-(2-iodophenyl)methanone
CID 55211972
2-[1-[2-(2-aminoethyl)benzoyl]azetidin-3-yl]propanoic acid
CID 116682336
[2-(2-aminoethyl)phenyl]-(4,4-dimethylazepan-1-yl)methanone
CID 65280889
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
[2-(2-aminoethyl)phenyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107219390
(3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 20772795
(5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62917475
1-[2-(2-phenylethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119355127

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [2-(2-aminoethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 107217222) is [2-(2-aminoethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(2-aminoethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(2-aminoethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is NCCc1ccccc1C(=O)N1CC[C@@H](O)C1.
What is the InChIKey of [2-(2-aminoethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is XZJRQKUQSCQKBF-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-7-5-10-3-1-2-4-12(10)13(17)15-8-6-11(16)9-15/h1-4,11,16H,5-9,14H2/t11-/m1/s1.
What are the key properties of [2-(2-aminoethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
[2-(2-aminoethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 234.30 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 107217222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).