(3-methylpyrrolidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone

C15H22N2O — CID 63108073

IUPAC(3-methylpyrrolidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
SMILESCC1CCN(C(=O)c2ccccc2NC(C)C)C1
InChIInChI=1S/C15H22N2O/c1-11(2)16-14-7-5-4-6-13(14)15(18)17-9-8-12(3)10-17/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyQDRJXASDNLNMBD-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.99
Rot. Bonds3

About (3-methylpyrrolidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone

(3-methylpyrrolidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone (PubChem CID 63108073) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (3-methylpyrrolidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone.

Molecular Properties

Compound Name(3-methylpyrrolidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
PubChem CID63108073
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(3-methylpyrrolidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
SMILESCC1CCN(C(=O)c2ccccc2NC(C)C)C1
InChIInChI=1S/C15H22N2O/c1-11(2)16-14-7-5-4-6-13(14)15(18)17-9-8-12(3)10-17/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyQDRJXASDNLNMBD-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107586
(2-hydrazinylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62235507
(3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107682
[3-(methoxymethyl)pyrrolidin-1-yl]-[2-(propan-2-ylamino)phenyl]methanone
CID 64599208
1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid
CID 171389822
4-[2-(propan-2-ylamino)benzoyl]morpholine-2-carbonitrile
CID 79681452
[2-(propan-2-ylamino)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 63107797
3,4-dichloro-N-[2-(3-methylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 86878824
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4939416
(3-methylpyrrolidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498253
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
(2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61226414

Frequently Asked Questions

What is the IUPAC name of (3-methylpyrrolidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone?
The IUPAC name of (3-methylpyrrolidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone (CID 63108073) is (3-methylpyrrolidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone.
What is the SMILES notation for (3-methylpyrrolidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone?
The canonical SMILES for (3-methylpyrrolidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone is CC1CCN(C(=O)c2ccccc2NC(C)C)C1.
What is the InChIKey of (3-methylpyrrolidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone?
The InChIKey is QDRJXASDNLNMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)16-14-7-5-4-6-13(14)15(18)17-9-8-12(3)10-17/h4-7,11-12,16H,8-10H2,1-3H3.
What are the key properties of (3-methylpyrrolidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone?
(3-methylpyrrolidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone has a molecular weight of 246.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrrolidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone is sourced from PubChem (CID 63108073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).