(5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone

C14H20N2O — CID 113416759

IUPAC(5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2cc(N)ccc2C)C1
InChIInChI=1S/C14H20N2O/c1-3-11-6-7-16(9-11)14(17)13-8-12(15)5-4-10(13)2/h4-5,8,11H,3,6-7,9,15H2,1-2H3
InChIKeyDXZQEYNNHBPCDQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.45
Rot. Bonds2

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

(5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone (PubChem CID 113416759) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
PubChem CID113416759
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2cc(N)ccc2C)C1
InChIInChI=1S/C14H20N2O/c1-3-11-6-7-16(9-11)14(17)13-8-12(15)5-4-10(13)2/h4-5,8,11H,3,6-7,9,15H2,1-2H3
InChIKeyDXZQEYNNHBPCDQ-UHFFFAOYSA-N
XLogP2.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.45
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

(5-amino-2-methylphenyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 120647549
(5-amino-2-methylphenyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120632288
(5-amino-2-methylphenyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride
CID 120647548
(4-amino-2-chlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113267297
(5-amino-2-methylphenyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 120642745
(5-amino-2-methylphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 120633127
(5-amino-2-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504921
(5-amino-2-methylphenyl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120636524
(5-amino-2-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168605
(5-amino-2-methylphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120642716
(2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370766
(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone (CID 113416759) is (5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone is CCC1CCN(C(=O)c2cc(N)ccc2C)C1.
What is the InChIKey of (5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone?
The InChIKey is DXZQEYNNHBPCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-11-6-7-16(9-11)14(17)13-8-12(15)5-4-10(13)2/h4-5,8,11H,3,6-7,9,15H2,1-2H3.
What are the key properties of (5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone?
(5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone has a molecular weight of 232.33 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylphenyl)-(3-ethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 113416759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).