(2-amino-3-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone

C15H22N2O — CID 83217631

IUPAC(2-amino-3-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
SMILESCCC1CCC(C)N1C(=O)c1cccc(C)c1N
InChIInChI=1S/C15H22N2O/c1-4-12-9-8-11(3)17(12)15(18)13-7-5-6-10(2)14(13)16/h5-7,11-12H,4,8-9,16H2,1-3H3
InChIKeyFVNBYSDIEAVLIJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.98
Rot. Bonds2

About (2-amino-3-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone

(2-amino-3-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone (PubChem CID 83217631) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2-amino-3-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
PubChem CID83217631
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2-amino-3-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
SMILESCCC1CCC(C)N1C(=O)c1cccc(C)c1N
InChIInChI=1S/C15H22N2O/c1-4-12-9-8-11(3)17(12)15(18)13-7-5-6-10(2)14(13)16/h5-7,11-12H,4,8-9,16H2,1-3H3
InChIKeyFVNBYSDIEAVLIJ-UHFFFAOYSA-N
XLogP2.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.98
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-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83218145
(2-bromo-3-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83226850
(2-ethyl-5-methylpyrrolidin-1-yl)-(1H-indol-4-yl)methanone
CID 83152477
(2-amino-3-methylphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63602925
(3-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 113396247
(6-chloro-2-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83137505
(2-ethyl-5-methylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
CID 83174368
(6-amino-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83221125
(2-ethyl-5-methylpyrrolidin-1-yl)-(4-hydrazinyl-3-pyridinyl)methanone
CID 83222083
(2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43133107
(2-amino-3-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62091780
(2-bromo-5-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83136204

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-amino-3-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone (CID 83217631) is (2-amino-3-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-amino-3-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-amino-3-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone is CCC1CCC(C)N1C(=O)c1cccc(C)c1N.
What is the InChIKey of (2-amino-3-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The InChIKey is FVNBYSDIEAVLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-12-9-8-11(3)17(12)15(18)13-7-5-6-10(2)14(13)16/h5-7,11-12H,4,8-9,16H2,1-3H3.
What are the key properties of (2-amino-3-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
(2-amino-3-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone has a molecular weight of 246.35 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 83217631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).