1-[2-amino-5-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone

C14H20N2O — CID 113433026

IUPAC1-[2-amino-5-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1cc(N2CCCC2(C)C)ccc1N
InChIInChI=1S/C14H20N2O/c1-10(17)12-9-11(5-6-13(12)15)16-8-4-7-14(16,2)3/h5-6,9H,4,7-8,15H2,1-3H3
InChIKeyWNGHGLCECOUUHM-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.85
Rot. Bonds2

About 1-[2-amino-5-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone

1-[2-amino-5-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone (PubChem CID 113433026) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[2-amino-5-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone
PubChem CID113433026
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[2-amino-5-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1cc(N2CCCC2(C)C)ccc1N
InChIInChI=1S/C14H20N2O/c1-10(17)12-9-11(5-6-13(12)15)16-8-4-7-14(16,2)3/h5-6,9H,4,7-8,15H2,1-3H3
InChIKeyWNGHGLCECOUUHM-UHFFFAOYSA-N
XLogP2.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-amino-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone
CID 104528829
1-[2-amino-5-(1,4-oxazepan-4-yl)phenyl]ethanone
CID 113433024
4-(2,2-dimethylpyrrolidin-1-yl)benzoic acid
CID 63219460
1-[2-amino-5-(1,2-oxazolidin-2-yl)phenyl]ethanone
CID 104613094
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylbenzenesulfonamide
CID 80645527
1-(2-amino-5-piperazin-1-ylphenyl)ethanone
CID 104612700
4-(4-acetyl-3-aminophenyl)-1,3,3-trimethylpiperazin-2-one
CID 104529030
4-(3-acetyl-4-aminophenyl)piperazine-2,6-dione
CID 113433052
4-(3-acetyl-4-aminophenyl)morpholin-3-one
CID 53417687
4-amino-3-(2,2-dimethylpyrrolidin-1-yl)benzamide
CID 63356660
4-(2,2-dimethylpyrrolidin-1-yl)-2-propoxyaniline
CID 63675552
2-amino-5-(2,2-dimethylpyrrolidin-1-yl)-4-fluorobenzoic acid
CID 63219128

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone (CID 113433026) is 1-[2-amino-5-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone is CC(=O)c1cc(N2CCCC2(C)C)ccc1N.
What is the InChIKey of 1-[2-amino-5-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone?
The InChIKey is WNGHGLCECOUUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(17)12-9-11(5-6-13(12)15)16-8-4-7-14(16,2)3/h5-6,9H,4,7-8,15H2,1-3H3.
What are the key properties of 1-[2-amino-5-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone?
1-[2-amino-5-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone has a molecular weight of 232.33 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 113433026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).