[5-chloro-2-(propylamino)phenyl]-(3-ethylmorpholin-4-yl)methanone

C16H23ClN2O2 — CID 62170445

IUPAC[5-chloro-2-(propylamino)phenyl]-(3-ethylmorpholin-4-yl)methanone
SMILESCCCNc1ccc(Cl)cc1C(=O)N1CCOCC1CC
InChIInChI=1S/C16H23ClN2O2/c1-3-7-18-15-6-5-12(17)10-14(15)16(20)19-8-9-21-11-13(19)4-2/h5-6,10,13,18H,3-4,7-9,11H2,1-2H3
InChIKeyQUSPQSWWRPCMSB-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.41
Rot. Bonds5

About [5-chloro-2-(propylamino)phenyl]-(3-ethylmorpholin-4-yl)methanone

[5-chloro-2-(propylamino)phenyl]-(3-ethylmorpholin-4-yl)methanone (PubChem CID 62170445) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is [5-chloro-2-(propylamino)phenyl]-(3-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(propylamino)phenyl]-(3-ethylmorpholin-4-yl)methanone
PubChem CID62170445
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name[5-chloro-2-(propylamino)phenyl]-(3-ethylmorpholin-4-yl)methanone
SMILESCCCNc1ccc(Cl)cc1C(=O)N1CCOCC1CC
InChIInChI=1S/C16H23ClN2O2/c1-3-7-18-15-6-5-12(17)10-14(15)16(20)19-8-9-21-11-13(19)4-2/h5-6,10,13,18H,3-4,7-9,11H2,1-2H3
InChIKeyQUSPQSWWRPCMSB-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-5-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43611588
(3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 55083039
(5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43611591
[5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 62171256
(3-ethylmorpholin-4-yl)-[2-(methylamino)-5-nitrophenyl]methanone
CID 62169101
[5-chloro-2-(ethylamino)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83045411
[5-chloro-2-(propylamino)phenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115967017
(2-chloro-3-nitrophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 115930941
[5-chloro-2-(methylamino)-4-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
CID 114922378
(3-chloro-4-hydroxyphenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43613528
(5-amino-2-chloro-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 114089389
[5-chloro-2-(ethylamino)phenyl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 62178255

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(propylamino)phenyl]-(3-ethylmorpholin-4-yl)methanone?
The IUPAC name of [5-chloro-2-(propylamino)phenyl]-(3-ethylmorpholin-4-yl)methanone (CID 62170445) is [5-chloro-2-(propylamino)phenyl]-(3-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-chloro-2-(propylamino)phenyl]-(3-ethylmorpholin-4-yl)methanone?
The canonical SMILES for [5-chloro-2-(propylamino)phenyl]-(3-ethylmorpholin-4-yl)methanone is CCCNc1ccc(Cl)cc1C(=O)N1CCOCC1CC.
What is the InChIKey of [5-chloro-2-(propylamino)phenyl]-(3-ethylmorpholin-4-yl)methanone?
The InChIKey is QUSPQSWWRPCMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-3-7-18-15-6-5-12(17)10-14(15)16(20)19-8-9-21-11-13(19)4-2/h5-6,10,13,18H,3-4,7-9,11H2,1-2H3.
What are the key properties of [5-chloro-2-(propylamino)phenyl]-(3-ethylmorpholin-4-yl)methanone?
[5-chloro-2-(propylamino)phenyl]-(3-ethylmorpholin-4-yl)methanone has a molecular weight of 310.83 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(propylamino)phenyl]-(3-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 62170445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).