[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone

C14H20N2O2 — CID 113360696

IUPAC[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC(C(C)N)C2)c1O
InChIInChI=1S/C14H20N2O2/c1-9-4-3-5-12(13(9)17)14(18)16-7-6-11(8-16)10(2)15/h3-5,10-11,17H,6-8,15H2,1-2H3
InChIKeyPYSIIXLAZKNTEQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.51
Rot. Bonds2

About [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone

[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone (PubChem CID 113360696) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
PubChem CID113360696
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC(C(C)N)C2)c1O
InChIInChI=1S/C14H20N2O2/c1-9-4-3-5-12(13(9)17)14(18)16-7-6-11(8-16)10(2)15/h3-5,10-11,17H,6-8,15H2,1-2H3
InChIKeyPYSIIXLAZKNTEQ-UHFFFAOYSA-N
XLogP1.51
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114345026
(4-amino-3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 81457202
[3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830655
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 112630543
(2-hydroxy-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 113281924
[4-(1-aminoethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63597089
[3-(1-aminoethyl)pyrrolidin-1-yl]-(1H-indol-4-yl)methanone
CID 103975888
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methyl-6-nitrophenyl)methanone
CID 103975798
(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390697
(3-ethyl-2-hydroxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023914
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone
CID 107732213
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 43430135

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone?
The IUPAC name of [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone (CID 113360696) is [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone.
What is the SMILES notation for [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone?
The canonical SMILES for [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCC(C(C)N)C2)c1O.
What is the InChIKey of [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone?
The InChIKey is PYSIIXLAZKNTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-4-3-5-12(13(9)17)14(18)16-7-6-11(8-16)10(2)15/h3-5,10-11,17H,6-8,15H2,1-2H3.
What are the key properties of [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone?
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone is sourced from PubChem (CID 113360696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).