[3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone

C16H24N2O — CID 63213608

IUPAC[3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCCCNc1ccc(C(=O)N2CCC(C)C2)cc1C
InChIInChI=1S/C16H24N2O/c1-4-8-17-15-6-5-14(10-13(15)3)16(19)18-9-7-12(2)11-18/h5-6,10,12,17H,4,7-9,11H2,1-3H3
InChIKeyWUKSDPPBKKVCFB-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.30
Rot. Bonds4

About [3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone

[3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 63213608) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone
PubChem CID63213608
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCCCNc1ccc(C(=O)N2CCC(C)C2)cc1C
InChIInChI=1S/C16H24N2O/c1-4-8-17-15-6-5-14(10-13(15)3)16(19)18-9-7-12(2)11-18/h5-6,10,12,17H,4,7-9,11H2,1-3H3
InChIKeyWUKSDPPBKKVCFB-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-methyl-4-(propylamino)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66370516
(3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62179564
(4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 63212098
[4-(ethylamino)-3-methylphenyl]-(4-ethylpiperidin-1-yl)methanone
CID 63213953
[6-methyl-4-(propylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 81242822
[3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 51094040
azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone
CID 63209492
[5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 62171256
tetrakis(N-decylformamide);[4-(3-methylpyrrolidine-1-carbonyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 145434379
(4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone
CID 63626184
(3-aminopiperidin-1-yl)-[3,4-dimethyl-5-(propylamino)phenyl]methanone
CID 162730501
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone (CID 63213608) is [3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone is CCCNc1ccc(C(=O)N2CCC(C)C2)cc1C.
What is the InChIKey of [3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is WUKSDPPBKKVCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-8-17-15-6-5-14(10-13(15)3)16(19)18-9-7-12(2)11-18/h5-6,10,12,17H,4,7-9,11H2,1-3H3.
What are the key properties of [3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone?
[3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 260.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 63213608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).