(2-aminophenyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone

C15H22N2O2 — CID 119946020

IUPAC(2-aminophenyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
SMILESCC(C)COC1CCN(C(=O)c2ccccc2N)C1
InChIInChI=1S/C15H22N2O2/c1-11(2)10-19-12-7-8-17(9-12)15(18)13-5-3-4-6-14(13)16/h3-6,11-12H,7-10,16H2,1-2H3
InChIKeyUGHVHDPHJSFMGQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.16
Rot. Bonds4

About (2-aminophenyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone

(2-aminophenyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone (PubChem CID 119946020) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2-aminophenyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminophenyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
PubChem CID119946020
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2-aminophenyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
SMILESCC(C)COC1CCN(C(=O)c2ccccc2N)C1
InChIInChI=1S/C15H22N2O2/c1-11(2)10-19-12-7-8-17(9-12)15(18)13-5-3-4-6-14(13)16/h3-6,11-12H,7-10,16H2,1-2H3
InChIKeyUGHVHDPHJSFMGQ-UHFFFAOYSA-N
XLogP2.16
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-aminopyrazin-2-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
CID 119163703
1-[2-[(3R)-3-(3-methylbutoxy)pyrrolidine-1-carbonyl]phenyl]ethanone
CID 96784337
(2R)-2-amino-1-[(3R)-3-(2-methylpropoxy)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124681786
(2-aminophenyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone
CID 119945352
(2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride
CID 119945190
1-(2-aminobenzoyl)pyrrolidine-3-carboxylic acid
CID 22322640
(5-amino-2-methylphenyl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone
CID 120624806
2-[4-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 119163704
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(2-aminophenyl)methanone
CID 28819844
(2-aminophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 60959683
2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122056069
(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone
CID 42656402

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-aminophenyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone (CID 119946020) is (2-aminophenyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-aminophenyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-aminophenyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone is CC(C)COC1CCN(C(=O)c2ccccc2N)C1.
What is the InChIKey of (2-aminophenyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone?
The InChIKey is UGHVHDPHJSFMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(2)10-19-12-7-8-17(9-12)15(18)13-5-3-4-6-14(13)16/h3-6,11-12H,7-10,16H2,1-2H3.
What are the key properties of (2-aminophenyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone?
(2-aminophenyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone has a molecular weight of 262.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119946020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).