2-[(3-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one

C14H20N2O2 — CID 115615288

IUPAC2-[(3-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NCc1cccc(O)c1)C(=O)N1CCCC1
InChIInChI=1S/C14H20N2O2/c1-11(14(18)16-7-2-3-8-16)15-10-12-5-4-6-13(17)9-12/h4-6,9,11,15,17H,2-3,7-8,10H2,1H3
InChIKeyXNNOFPDDWWFTNX-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.49
Rot. Bonds4

About 2-[(3-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one

2-[(3-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 115615288) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[(3-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(3-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID115615288
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[(3-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NCc1cccc(O)c1)C(=O)N1CCCC1
InChIInChI=1S/C14H20N2O2/c1-11(14(18)16-7-2-3-8-16)15-10-12-5-4-6-13(17)9-12/h4-6,9,11,15,17H,2-3,7-8,10H2,1H3
InChIKeyXNNOFPDDWWFTNX-UHFFFAOYSA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 94613388
1-(azepan-1-yl)-2-[(3-chlorophenyl)methylamino]propan-1-one
CID 60677398
2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931628
2-[3-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]phenoxy]acetonitrile
CID 115625474
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 115588889
2-[[4-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115579711
2-[(4-fluoro-3-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 112683720
2-[(2-chloro-6-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115625678
methyl 2-[(3-hydroxyphenyl)methylamino]propanoate
CID 60780652
2-[(4-methylsulfanylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931631
propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534
1-(azepan-1-yl)-2-[2-(3-methylphenyl)ethylamino]propan-1-one
CID 62313384

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[(3-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 115615288) is 2-[(3-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(3-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(3-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one is CC(NCc1cccc(O)c1)C(=O)N1CCCC1.
What is the InChIKey of 2-[(3-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is XNNOFPDDWWFTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(14(18)16-7-2-3-8-16)15-10-12-5-4-6-13(17)9-12/h4-6,9,11,15,17H,2-3,7-8,10H2,1H3.
What are the key properties of 2-[(3-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
2-[(3-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 115615288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).