(5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone

C13H17ClN2O2 — CID 43611591

IUPAC(5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
SMILESCCC1COCCN1C(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-2-10-8-18-6-5-16(10)13(17)11-7-9(15)3-4-12(11)14/h3-4,7,10H,2,5-6,8,15H2,1H3
InChIKeyUSFCBWWSSWOMOK-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.17
Rot. Bonds2

About (5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone

(5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone (PubChem CID 43611591) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
PubChem CID43611591
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
SMILESCCC1COCCN1C(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-2-10-8-18-6-5-16(10)13(17)11-7-9(15)3-4-12(11)14/h3-4,7,10H,2,5-6,8,15H2,1H3
InChIKeyUSFCBWWSSWOMOK-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.17
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-amino-5-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43611588
(5-amino-2-chloro-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 114089389
[5-chloro-2-(methylamino)-4-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
CID 114922378
(5-amino-1H-indol-2-yl)-(3-ethylmorpholin-4-yl)methanone
CID 63117810
(3,6-dichloro-2-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 43613155
(3-chloro-4-hydroxyphenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43613528
(5-amino-1H-indazol-3-yl)-(3-ethylmorpholin-4-yl)methanone
CID 60905135
(4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 43541599
(4-amino-1-methylpyrrol-2-yl)-(3-ethylmorpholin-4-yl)methanone
CID 43644113
[5-chloro-2-(propylamino)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 62170445
(3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 55083039
(2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 106861970

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone?
The IUPAC name of (5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone (CID 43611591) is (5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone is CCC1COCCN1C(=O)c1cc(N)ccc1Cl.
What is the InChIKey of (5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone?
The InChIKey is USFCBWWSSWOMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-2-10-8-18-6-5-16(10)13(17)11-7-9(15)3-4-12(11)14/h3-4,7,10H,2,5-6,8,15H2,1H3.
What are the key properties of (5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone?
(5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone has a molecular weight of 268.74 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 43611591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).