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

C15H22N2O — CID 113396247

IUPAC(3-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
SMILESCCC1CCC(C)N1C(=O)c1cc(C)cc(N)c1
InChIInChI=1S/C15H22N2O/c1-4-14-6-5-11(3)17(14)15(18)12-7-10(2)8-13(16)9-12/h7-9,11,14H,4-6,16H2,1-3H3
InChIKeySYBFZMXLZUIUMK-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.98
Rot. Bonds2

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

(3-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone (PubChem CID 113396247) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (3-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
PubChem CID113396247
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(3-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
SMILESCCC1CCC(C)N1C(=O)c1cc(C)cc(N)c1
InChIInChI=1S/C15H22N2O/c1-4-14-6-5-11(3)17(14)15(18)12-7-10(2)8-13(16)9-12/h7-9,11,14H,4-6,16H2,1-3H3
InChIKeySYBFZMXLZUIUMK-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

(3,5-dimethoxy-4-methylphenyl)-[(2S,5R)-2-ethyl-5-methylpyrrolidin-1-yl]methanone
CID 97256072
(2-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83218145
(6-amino-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83221125
(2-amino-3-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83217631
(3-amino-5-methylphenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 113396208
(2-ethyl-5-methylpyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone
CID 83222002
(2-ethyl-5-methylpyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]methanone
CID 83220481
(6-chloro-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83135395
(E)-3-[4-(2-ethyl-5-methylpyrrolidine-1-carbonyl)thiophen-2-yl]prop-2-enoic acid
CID 83220335
[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83220835
[2-(ethylamino)-4-pyridinyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83173918
5-(2-ethyl-5-methylpyrrolidine-1-carbonyl)-2-methylthiophene-3-sulfonamide
CID 115888736

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone (CID 113396247) is (3-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone is CCC1CCC(C)N1C(=O)c1cc(C)cc(N)c1.
What is the InChIKey of (3-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The InChIKey is SYBFZMXLZUIUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-14-6-5-11(3)17(14)15(18)12-7-10(2)8-13(16)9-12/h7-9,11,14H,4-6,16H2,1-3H3.
What are the key properties of (3-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
(3-amino-5-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 (3-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 113396247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).