2-[(3-chloro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one

C15H21ClN2O3 — CID 115653757

IUPAC2-[(3-chloro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(CNC(C)C(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C15H21ClN2O3/c1-11(15(19)18-5-7-21-8-6-18)17-10-12-3-4-14(20-2)13(16)9-12/h3-4,9,11,17H,5-8,10H2,1-2H3
InChIKeyLEEIHODLLYSQKI-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.69
Rot. Bonds5

About 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one

2-[(3-chloro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 115653757) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID115653757
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name2-[(3-chloro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(CNC(C)C(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C15H21ClN2O3/c1-11(15(19)18-5-7-21-8-6-18)17-10-12-3-4-14(20-2)13(16)9-12/h3-4,9,11,17H,5-8,10H2,1-2H3
InChIKeyLEEIHODLLYSQKI-UHFFFAOYSA-N
XLogP1.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 43083712
methyl 5-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]furan-2-carboxylate
CID 115628854
2-(3,4-dimethoxyphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 94818251
2-[(4-ethoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115593323
4-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]benzamide
CID 115569779
2-[(4-bromo-2-chlorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115595203
2-[(5-chlorofuran-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112683112
(2S,3S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-3-methylpentanoic acid
CID 120510449
2-[(2-fluoro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 103757269
2-[(3-chloro-4-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 79254471
N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943532
2-(3-fluoro-4-methoxyanilino)-1-morpholin-4-ylpropan-1-one
CID 43380769

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one (CID 115653757) is 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one is COc1ccc(CNC(C)C(=O)N2CCOCC2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is LEEIHODLLYSQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-11(15(19)18-5-7-21-8-6-18)17-10-12-3-4-14(20-2)13(16)9-12/h3-4,9,11,17H,5-8,10H2,1-2H3.
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one?
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 312.80 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 115653757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).