2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide

C15H22ClN3O2 — CID 81497038

IUPAC2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1CCOC(C(C)N)C1
InChIInChI=1S/C15H22ClN3O2/c1-10-7-12(16)3-4-13(10)18-15(20)9-19-5-6-21-14(8-19)11(2)17/h3-4,7,11,14H,5-6,8-9,17H2,1-2H3,(H,18,20)
InChIKeyNAWZHIGSLSJEJV-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.63
Rot. Bonds4

About 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide

2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide (PubChem CID 81497038) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
PubChem CID81497038
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1CCOC(C(C)N)C1
InChIInChI=1S/C15H22ClN3O2/c1-10-7-12(16)3-4-13(10)18-15(20)9-19-5-6-21-14(8-19)11(2)17/h3-4,7,11,14H,5-6,8-9,17H2,1-2H3,(H,18,20)
InChIKeyNAWZHIGSLSJEJV-UHFFFAOYSA-N
XLogP1.63
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 81497195
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,5-dimethylphenyl)acetamide
CID 81497407
2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
CID 114395086
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2-chlorophenyl)acetamide
CID 81490299
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 81497218
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 81497379
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 119920513
2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide
CID 114394862
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-bromophenyl)acetamide
CID 81490207
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-bromophenyl)acetamide
CID 81490374
3-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chlorophenyl)propanamide
CID 81497387
N-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976877

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide (CID 81497038) is 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide is Cc1cc(Cl)ccc1NC(=O)CN1CCOC(C(C)N)C1.
What is the InChIKey of 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide?
The InChIKey is NAWZHIGSLSJEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-10-7-12(16)3-4-13(10)18-15(20)9-19-5-6-21-14(8-19)11(2)17/h3-4,7,11,14H,5-6,8-9,17H2,1-2H3,(H,18,20).
What are the key properties of 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide?
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide has a molecular weight of 311.81 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 81497038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).