(4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone

C15H22ClN3O — CID 63167985

IUPAC(4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2ccc(N)cc2Cl)C1
InChIInChI=1S/C15H22ClN3O/c1-3-18(4-2)12-7-8-19(10-12)15(20)13-6-5-11(17)9-14(13)16/h5-6,9,12H,3-4,7-8,10,17H2,1-2H3
InChIKeyVKMADNCCHMPFNJ-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.48
Rot. Bonds4

About (4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone

(4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone (PubChem CID 63167985) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
PubChem CID63167985
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name(4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2ccc(N)cc2Cl)C1
InChIInChI=1S/C15H22ClN3O/c1-3-18(4-2)12-7-8-19(10-12)15(20)13-6-5-11(17)9-14(13)16/h5-6,9,12H,3-4,7-8,10,17H2,1-2H3
InChIKeyVKMADNCCHMPFNJ-UHFFFAOYSA-N
XLogP2.48
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.48
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

(2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63168429
(4-amino-2-chlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113267297
(4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916789
(4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119821044
(4-chloro-2-hydroxyphenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63528702
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110476221
(3-aminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119843269
[3-(diethylamino)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 86785879
(4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 119671331
(4-amino-2-chlorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168035
(2-amino-4,5-difluorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63168602
(4-amino-2-chlorophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372653

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone (CID 63167985) is (4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone is CCN(CC)C1CCN(C(=O)c2ccc(N)cc2Cl)C1.
What is the InChIKey of (4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is VKMADNCCHMPFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-3-18(4-2)12-7-8-19(10-12)15(20)13-6-5-11(17)9-14(13)16/h5-6,9,12H,3-4,7-8,10,17H2,1-2H3.
What are the key properties of (4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
(4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 295.81 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 63167985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).