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

C15H21ClN2O2 — CID 62169229

IUPAC[5-chloro-2-(ethylamino)phenyl]-(2-ethylmorpholin-4-yl)methanone
SMILESCCNc1ccc(Cl)cc1C(=O)N1CCOC(CC)C1
InChIInChI=1S/C15H21ClN2O2/c1-3-12-10-18(7-8-20-12)15(19)13-9-11(16)5-6-14(13)17-4-2/h5-6,9,12,17H,3-4,7-8,10H2,1-2H3
InChIKeyDEQRJCJWLYDJKO-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.02
Rot. Bonds4

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

[5-chloro-2-(ethylamino)phenyl]-(2-ethylmorpholin-4-yl)methanone (PubChem CID 62169229) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is [5-chloro-2-(ethylamino)phenyl]-(2-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(ethylamino)phenyl]-(2-ethylmorpholin-4-yl)methanone
PubChem CID62169229
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name[5-chloro-2-(ethylamino)phenyl]-(2-ethylmorpholin-4-yl)methanone
SMILESCCNc1ccc(Cl)cc1C(=O)N1CCOC(CC)C1
InChIInChI=1S/C15H21ClN2O2/c1-3-12-10-18(7-8-20-12)15(19)13-9-11(16)5-6-14(13)17-4-2/h5-6,9,12,17H,3-4,7-8,10H2,1-2H3
InChIKeyDEQRJCJWLYDJKO-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(ethylamino)-5-methylphenyl]-(2-ethylmorpholin-4-yl)methanone
CID 62510031
(5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 60733638
[5-chloro-2-(ethylamino)phenyl]-piperidin-1-ylmethanone
CID 62165220
[5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 62165244
(5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 62247369
[2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone
CID 81210817
[2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone
CID 114398222
(5-amino-2-chlorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 43562207
methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate
CID 115533261
[5-chloro-2-(ethylamino)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103529941
[5-chloro-2-(ethylamino)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106741494
[6-(ethylamino)pyridazin-3-yl]-(2-ethylmorpholin-4-yl)methanone
CID 62168371

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(ethylamino)phenyl]-(2-ethylmorpholin-4-yl)methanone?
The IUPAC name of [5-chloro-2-(ethylamino)phenyl]-(2-ethylmorpholin-4-yl)methanone (CID 62169229) is [5-chloro-2-(ethylamino)phenyl]-(2-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-chloro-2-(ethylamino)phenyl]-(2-ethylmorpholin-4-yl)methanone?
The canonical SMILES for [5-chloro-2-(ethylamino)phenyl]-(2-ethylmorpholin-4-yl)methanone is CCNc1ccc(Cl)cc1C(=O)N1CCOC(CC)C1.
What is the InChIKey of [5-chloro-2-(ethylamino)phenyl]-(2-ethylmorpholin-4-yl)methanone?
The InChIKey is DEQRJCJWLYDJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-3-12-10-18(7-8-20-12)15(19)13-9-11(16)5-6-14(13)17-4-2/h5-6,9,12,17H,3-4,7-8,10H2,1-2H3.
What are the key properties of [5-chloro-2-(ethylamino)phenyl]-(2-ethylmorpholin-4-yl)methanone?
[5-chloro-2-(ethylamino)phenyl]-(2-ethylmorpholin-4-yl)methanone has a molecular weight of 296.80 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(ethylamino)phenyl]-(2-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 62169229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).