4-[(5-amino-2-chlorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide

C15H22ClN3O2 — CID 83098354

IUPAC4-[(5-amino-2-chlorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1Cc1cc(N)ccc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-10(2)18-15(20)14-9-21-6-5-19(14)8-11-7-12(17)3-4-13(11)16/h3-4,7,10,14H,5-6,8-9,17H2,1-2H3,(H,18,20)
InChIKeyBUJLXJPEIQZGDL-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.65
Rot. Bonds4

About 4-[(5-amino-2-chlorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide

4-[(5-amino-2-chlorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 83098354) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 4-[(5-amino-2-chlorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(5-amino-2-chlorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID83098354
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name4-[(5-amino-2-chlorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1Cc1cc(N)ccc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-10(2)18-15(20)14-9-21-6-5-19(14)8-11-7-12(17)3-4-13(11)16/h3-4,7,10,14H,5-6,8-9,17H2,1-2H3,(H,18,20)
InChIKeyBUJLXJPEIQZGDL-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide
CID 83102235
4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098587
4-[(4-amino-2-chlorophenyl)methyl]-N-ethylmorpholine-3-carboxamide
CID 83106435
4-[(3-amino-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 107347522
1-[(5-amino-2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985656
4-[4-(aminomethyl)-2-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097596
5-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]thiophene-2-carboxylic acid
CID 83102647
4-[[4-(methylamino)-2-pyridinyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83105350
4-[2-(aminomethyl)-3-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097593
4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83106227
4-[5-chloro-2-(hydroxymethyl)phenyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 114845828
4-(2,3-diamino-3-oxopropyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103304

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-2-chlorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-[(5-amino-2-chlorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide (CID 83098354) is 4-[(5-amino-2-chlorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(5-amino-2-chlorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(5-amino-2-chlorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide is CC(C)NC(=O)C1COCCN1Cc1cc(N)ccc1Cl.
What is the InChIKey of 4-[(5-amino-2-chlorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is BUJLXJPEIQZGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-10(2)18-15(20)14-9-21-6-5-19(14)8-11-7-12(17)3-4-13(11)16/h3-4,7,10,14H,5-6,8-9,17H2,1-2H3,(H,18,20).
What are the key properties of 4-[(5-amino-2-chlorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide?
4-[(5-amino-2-chlorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 311.81 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-2-chlorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 83098354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).