(2-amino-6-methylphenyl)-(3-propylpyrrolidin-1-yl)methanone

C15H22N2O — CID 113416766

IUPAC(2-amino-6-methylphenyl)-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2c(C)cccc2N)C1
InChIInChI=1S/C15H22N2O/c1-3-5-12-8-9-17(10-12)15(18)14-11(2)6-4-7-13(14)16/h4,6-7,12H,3,5,8-10,16H2,1-2H3
InChIKeyOFLUCLDJBAPWPO-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.84
Rot. Bonds3

About (2-amino-6-methylphenyl)-(3-propylpyrrolidin-1-yl)methanone

(2-amino-6-methylphenyl)-(3-propylpyrrolidin-1-yl)methanone (PubChem CID 113416766) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2-amino-6-methylphenyl)-(3-propylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-methylphenyl)-(3-propylpyrrolidin-1-yl)methanone
PubChem CID113416766
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2-amino-6-methylphenyl)-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2c(C)cccc2N)C1
InChIInChI=1S/C15H22N2O/c1-3-5-12-8-9-17(10-12)15(18)14-11(2)6-4-7-13(14)16/h4,6-7,12H,3,5,8-10,16H2,1-2H3
InChIKeyOFLUCLDJBAPWPO-UHFFFAOYSA-N
XLogP2.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.84
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-6-methylphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 61116229
(2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585622
(2-amino-6-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211671
(2-amino-6-methylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835108
(2-amino-6-methylphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106666922
(2-amino-6-methylphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83053615
(2-amino-6-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372607
(2-amino-6-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16792662
(2,6-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103855483
(2-amino-6-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81206264
4-(3-propylpyrrolidine-1-carbonyl)benzoic acid
CID 112700698
(4-amino-3-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 113416770

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methylphenyl)-(3-propylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-amino-6-methylphenyl)-(3-propylpyrrolidin-1-yl)methanone (CID 113416766) is (2-amino-6-methylphenyl)-(3-propylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-amino-6-methylphenyl)-(3-propylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-amino-6-methylphenyl)-(3-propylpyrrolidin-1-yl)methanone is CCCC1CCN(C(=O)c2c(C)cccc2N)C1.
What is the InChIKey of (2-amino-6-methylphenyl)-(3-propylpyrrolidin-1-yl)methanone?
The InChIKey is OFLUCLDJBAPWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-5-12-8-9-17(10-12)15(18)14-11(2)6-4-7-13(14)16/h4,6-7,12H,3,5,8-10,16H2,1-2H3.
What are the key properties of (2-amino-6-methylphenyl)-(3-propylpyrrolidin-1-yl)methanone?
(2-amino-6-methylphenyl)-(3-propylpyrrolidin-1-yl)methanone has a molecular weight of 246.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methylphenyl)-(3-propylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 113416766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).