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

C14H20ClN3O2 — CID 114395086

IUPAC2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1CCOC(CN)C1
InChIInChI=1S/C14H20ClN3O2/c1-10-6-11(15)2-3-13(10)17-14(19)9-18-4-5-20-12(7-16)8-18/h2-3,6,12H,4-5,7-9,16H2,1H3,(H,17,19)
InChIKeyARCBPMNAQCKKAY-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.25
Rot. Bonds4

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

2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide (PubChem CID 114395086) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
PubChem CID114395086
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1CCOC(CN)C1
InChIInChI=1S/C14H20ClN3O2/c1-10-6-11(15)2-3-13(10)17-14(19)9-18-4-5-20-12(7-16)8-18/h2-3,6,12H,4-5,7-9,16H2,1H3,(H,17,19)
InChIKeyARCBPMNAQCKKAY-UHFFFAOYSA-N
XLogP1.25
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide
CID 114394862
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
CID 81497038
N-(2,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79833810
2-[2-(aminomethyl)morpholin-4-yl]-N-(2-bromophenyl)acetamide
CID 114394940
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 120728146
2-[2-(aminomethyl)morpholin-4-yl]-N-phenylacetamide
CID 61336829
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 114395286
N-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976877
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 114398812
2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 79992672
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 114394898
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 81497195

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide (CID 114395086) is 2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide is Cc1cc(Cl)ccc1NC(=O)CN1CCOC(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide?
The InChIKey is ARCBPMNAQCKKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-10-6-11(15)2-3-13(10)17-14(19)9-18-4-5-20-12(7-16)8-18/h2-3,6,12H,4-5,7-9,16H2,1H3,(H,17,19).
What are the key properties of 2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide?
2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide has a molecular weight of 297.79 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 114395086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).