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

C15H22N2O — CID 83218145

IUPAC(2-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
SMILESCCC1CCC(C)N1C(=O)c1cc(C)ccc1N
InChIInChI=1S/C15H22N2O/c1-4-12-7-6-11(3)17(12)15(18)13-9-10(2)5-8-14(13)16/h5,8-9,11-12H,4,6-7,16H2,1-3H3
InChIKeyBPIPPFZYNVQENA-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.98
Rot. Bonds2

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

(2-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone (PubChem CID 83218145) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
PubChem CID83218145
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
SMILESCCC1CCC(C)N1C(=O)c1cc(C)ccc1N
InChIInChI=1S/C15H22N2O/c1-4-12-7-6-11(3)17(12)15(18)13-9-10(2)5-8-14(13)16/h5,8-9,11-12H,4,6-7,16H2,1-3H3
InChIKeyBPIPPFZYNVQENA-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-3-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83217631
(2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 62510714
(3-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 113396247
(2-bromo-5-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83136204
(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
ethyl 4-(2-amino-5-methylbenzoyl)piperazine-1-carboxylate
CID 62075004
(2-ethyl-5-methylpyrrolidin-1-yl)-(5-fluoro-2-nitrophenyl)methanone
CID 83136633
(3,5-dimethoxy-4-methylphenyl)-[(2S,5R)-2-ethyl-5-methylpyrrolidin-1-yl]methanone
CID 97256072
(2-ethyl-5-methylpyrrolidin-1-yl)-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 83220602
5-(2-ethyl-5-methylpyrrolidine-1-carbonyl)furan-2-carboxylic acid
CID 83220072
[2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106862177

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone (CID 83218145) is (2-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone is CCC1CCC(C)N1C(=O)c1cc(C)ccc1N.
What is the InChIKey of (2-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The InChIKey is BPIPPFZYNVQENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-12-7-6-11(3)17(12)15(18)13-9-10(2)5-8-14(13)16/h5,8-9,11-12H,4,6-7,16H2,1-3H3.
What are the key properties of (2-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
(2-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 (2-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 83218145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).