4-[2-amino-1-(2-chlorophenyl)propyl]morpholine-3-carboxamide

C14H20ClN3O2 — CID 83101200

IUPAC4-[2-amino-1-(2-chlorophenyl)propyl]morpholine-3-carboxamide
SMILESCC(N)C(c1ccccc1Cl)N1CCOCC1C(N)=O
InChIInChI=1S/C14H20ClN3O2/c1-9(16)13(10-4-2-3-5-11(10)15)18-6-7-20-8-12(18)14(17)19/h2-5,9,12-13H,6-8,16H2,1H3,(H2,17,19)
InChIKeyQWYYFIOSEZPMPO-UHFFFAOYSA-N
MW297.79 g/mol
LogP0.91
Rot. Bonds4

About 4-[2-amino-1-(2-chlorophenyl)propyl]morpholine-3-carboxamide

4-[2-amino-1-(2-chlorophenyl)propyl]morpholine-3-carboxamide (PubChem CID 83101200) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-[2-amino-1-(2-chlorophenyl)propyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-amino-1-(2-chlorophenyl)propyl]morpholine-3-carboxamide
PubChem CID83101200
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name4-[2-amino-1-(2-chlorophenyl)propyl]morpholine-3-carboxamide
SMILESCC(N)C(c1ccccc1Cl)N1CCOCC1C(N)=O
InChIInChI=1S/C14H20ClN3O2/c1-9(16)13(10-4-2-3-5-11(10)15)18-6-7-20-8-12(18)14(17)19/h2-5,9,12-13H,6-8,16H2,1H3,(H2,17,19)
InChIKeyQWYYFIOSEZPMPO-UHFFFAOYSA-N
XLogP0.91
TPSA81.58 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 ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-1-(3-methylmorpholin-4-yl)propan-2-amine
CID 55022896
4-[2-amino-1-(1-methylpyrazol-4-yl)propyl]morpholine-3-carboxamide
CID 83101068
4-(2-amino-1-thiophen-3-ylpropyl)morpholine-3-carboxamide
CID 83101539
4-[(1R)-1-naphthalen-1-ylethyl]morpholine-3-carboxamide
CID 140628038
4-(2-amino-1-phenylpropyl)-N-ethylmorpholine-3-carboxamide
CID 83097771
1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-chlorophenyl)propan-2-amine
CID 55022515
2-(2-chlorophenyl)-2-(3-methylmorpholin-4-yl)ethanamine
CID 43541974
4-[3-chloro-4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide
CID 83096321
4-(4-oxopentan-2-yl)morpholine-3-carboxamide
CID 83096571
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-chlorophenyl)propan-2-amine
CID 65319403
4-[2-amino-1-(3-fluorophenyl)ethyl]morpholine-3-carboxamide
CID 83102016
4-(1-oxo-1-piperazin-1-ylpropan-2-yl)morpholine-3-carboxamide
CID 83096216

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(2-chlorophenyl)propyl]morpholine-3-carboxamide?
The IUPAC name of 4-[2-amino-1-(2-chlorophenyl)propyl]morpholine-3-carboxamide (CID 83101200) is 4-[2-amino-1-(2-chlorophenyl)propyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[2-amino-1-(2-chlorophenyl)propyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[2-amino-1-(2-chlorophenyl)propyl]morpholine-3-carboxamide is CC(N)C(c1ccccc1Cl)N1CCOCC1C(N)=O.
What is the InChIKey of 4-[2-amino-1-(2-chlorophenyl)propyl]morpholine-3-carboxamide?
The InChIKey is QWYYFIOSEZPMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-9(16)13(10-4-2-3-5-11(10)15)18-6-7-20-8-12(18)14(17)19/h2-5,9,12-13H,6-8,16H2,1H3,(H2,17,19).
What are the key properties of 4-[2-amino-1-(2-chlorophenyl)propyl]morpholine-3-carboxamide?
4-[2-amino-1-(2-chlorophenyl)propyl]morpholine-3-carboxamide has a molecular weight of 297.79 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(2-chlorophenyl)propyl]morpholine-3-carboxamide is sourced from PubChem (CID 83101200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).