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

C14H21N3O — CID 62885357

IUPAC(3-aminophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
SMILESCN(C)CC1CCCN1C(=O)c1cccc(N)c1
InChIInChI=1S/C14H21N3O/c1-16(2)10-13-7-4-8-17(13)14(18)11-5-3-6-12(15)9-11/h3,5-6,9,13H,4,7-8,10,15H2,1-2H3
InChIKeyAXUGFAZFPQQSJG-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.43
Rot. Bonds3

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

(3-aminophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone (PubChem CID 62885357) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (3-aminophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
PubChem CID62885357
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(3-aminophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
SMILESCN(C)CC1CCCN1C(=O)c1cccc(N)c1
InChIInChI=1S/C14H21N3O/c1-16(2)10-13-7-4-8-17(13)14(18)11-5-3-6-12(15)9-11/h3,5-6,9,13H,4,7-8,10,15H2,1-2H3
InChIKeyAXUGFAZFPQQSJG-UHFFFAOYSA-N
XLogP1.43
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.43
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-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973373
[3-(chloromethyl)phenyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62886997
(4-amino-3-hydroxyphenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 107075186
(3-aminophenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119865869
[3-(3-aminoprop-1-ynyl)phenyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62889274
(4-amino-2-methylphenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62886056
(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793415
2-(3-aminophenoxy)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanone
CID 62886053
(3,5-dihydroxyphenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 107703913
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944716
(3-aminophenyl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119816945
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722457

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-aminophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone (CID 62885357) is (3-aminophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-aminophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-aminophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone is CN(C)CC1CCCN1C(=O)c1cccc(N)c1.
What is the InChIKey of (3-aminophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is AXUGFAZFPQQSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16(2)10-13-7-4-8-17(13)14(18)11-5-3-6-12(15)9-11/h3,5-6,9,13H,4,7-8,10,15H2,1-2H3.
What are the key properties of (3-aminophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
(3-aminophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 247.34 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 62885357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).