(5-amino-2-methylphenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone

C14H20N2O — CID 63216056

IUPAC(5-amino-2-methylphenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone
SMILESCc1ccc(N)cc1C(=O)N1CCCC1(C)C
InChIInChI=1S/C14H20N2O/c1-10-5-6-11(15)9-12(10)13(17)16-8-4-7-14(16,2)3/h5-6,9H,4,7-8,15H2,1-3H3
InChIKeyGBRPTSKHAHVZHC-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.59
Rot. Bonds1

About (5-amino-2-methylphenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone

(5-amino-2-methylphenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone (PubChem CID 63216056) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone
PubChem CID63216056
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(5-amino-2-methylphenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone
SMILESCc1ccc(N)cc1C(=O)N1CCCC1(C)C
InChIInChI=1S/C14H20N2O/c1-10-5-6-11(15)9-12(10)13(17)16-8-4-7-14(16,2)3/h5-6,9H,4,7-8,15H2,1-3H3
InChIKeyGBRPTSKHAHVZHC-UHFFFAOYSA-N
XLogP2.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,4-diaminophenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 63215793
(2,2-dimethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone
CID 112702642
(5-amino-2-methylphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 63156762
4-(5-amino-2-methylbenzoyl)-1,3,3-trimethylpiperazin-2-one;hydrochloride
CID 120635811
(2,2-dimethylpyrrolidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone
CID 113400210
1-(5-amino-2-bromobenzoyl)-2-methylpyrrolidine-2-carboxylic acid
CID 115297368
(2,2-dimethylpyrrolidin-1-yl)-(2-hydrazinylphenyl)methanone
CID 63218887
[4-(5-amino-2-methylbenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 120622945
[2-(aminomethyl)-2-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 115270727
(5-amino-2-methylphenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107210135
(2,2-dimethylpyrrolidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 63217932
(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-amino-2-methylphenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone (CID 63216056) is (5-amino-2-methylphenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-methylphenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-amino-2-methylphenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone is Cc1ccc(N)cc1C(=O)N1CCCC1(C)C.
What is the InChIKey of (5-amino-2-methylphenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is GBRPTSKHAHVZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-5-6-11(15)9-12(10)13(17)16-8-4-7-14(16,2)3/h5-6,9H,4,7-8,15H2,1-3H3.
What are the key properties of (5-amino-2-methylphenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
(5-amino-2-methylphenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 232.33 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylphenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 63216056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).