[3-amino-4-(dimethylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone

C14H21N3O — CID 61222522

IUPAC[3-amino-4-(dimethylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(N(C)C)c(N)c2)C1
InChIInChI=1S/C14H21N3O/c1-10-6-7-17(9-10)14(18)11-4-5-13(16(2)3)12(15)8-11/h4-5,8,10H,6-7,9,15H2,1-3H3
InChIKeyHMDJQKKTDLZDOK-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.82
Rot. Bonds2

About [3-amino-4-(dimethylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone

[3-amino-4-(dimethylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 61222522) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [3-amino-4-(dimethylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[3-amino-4-(dimethylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone
PubChem CID61222522
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[3-amino-4-(dimethylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(N(C)C)c(N)c2)C1
InChIInChI=1S/C14H21N3O/c1-10-6-7-17(9-10)14(18)11-4-5-13(16(2)3)12(15)8-11/h4-5,8,10H,6-7,9,15H2,1-3H3
InChIKeyHMDJQKKTDLZDOK-UHFFFAOYSA-N
XLogP1.82
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.82
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-amino-4-(dimethylamino)phenyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677517
[3-amino-4-(dimethylamino)phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 55131345
[3-amino-4-(dimethylamino)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 61092413
1-[3-amino-4-(dimethylamino)benzoyl]piperidine-4-carboxamide
CID 61089682
[3-amino-4-(dimethylamino)phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104957657
[3-amino-4-(dimethylamino)phenyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107210938
[3-amino-4-(dimethylamino)phenyl]-piperazin-1-ylmethanone
CID 110488299
[4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
CID 143704311
[3-amino-4-(dimethylamino)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 61094890
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
(3-amino-4-bromophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63166595
[3-amino-4-(dimethylamino)phenyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102882248

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(dimethylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [3-amino-4-(dimethylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone (CID 61222522) is [3-amino-4-(dimethylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [3-amino-4-(dimethylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [3-amino-4-(dimethylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(N(C)C)c(N)c2)C1.
What is the InChIKey of [3-amino-4-(dimethylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is HMDJQKKTDLZDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-6-7-17(9-10)14(18)11-4-5-13(16(2)3)12(15)8-11/h4-5,8,10H,6-7,9,15H2,1-3H3.
What are the key properties of [3-amino-4-(dimethylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone?
[3-amino-4-(dimethylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(dimethylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 61222522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).