4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one

C15H20Cl2N2O2 — CID 120562102

IUPAC4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one
SMILESCC(N)CCC(=O)N1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H20Cl2N2O2/c1-10(18)2-5-15(20)19-6-7-21-14(9-19)11-3-4-12(16)13(17)8-11/h3-4,8,10,14H,2,5-7,9,18H2,1H3
InChIKeyJEGQDEDQQANLOV-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.02
Rot. Bonds4

About 4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one

4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one (PubChem CID 120562102) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one.

Molecular Properties

Compound Name4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one
PubChem CID120562102
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one
SMILESCC(N)CCC(=O)N1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H20Cl2N2O2/c1-10(18)2-5-15(20)19-6-7-21-14(9-19)11-3-4-12(16)13(17)8-11/h3-4,8,10,14H,2,5-7,9,18H2,1H3
InChIKeyJEGQDEDQQANLOV-UHFFFAOYSA-N
XLogP3.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 120561194
5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]hexan-1-one
CID 82849703
1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 95180794
2-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methoxypropan-1-one
CID 120988781
4-amino-1-(2-thiophen-3-ylmorpholin-4-yl)pentan-1-one;hydrochloride
CID 120563675
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 56743980
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethoxy)ethanone
CID 56749922
1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 95174624
1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 95174623
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119769922
3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315236
1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 95180594

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one?
The IUPAC name of 4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one (CID 120562102) is 4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one.
What is the SMILES notation for 4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one?
The canonical SMILES for 4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one is CC(N)CCC(=O)N1CCOC(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one?
The InChIKey is JEGQDEDQQANLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-10(18)2-5-15(20)19-6-7-21-14(9-19)11-3-4-12(16)13(17)8-11/h3-4,8,10,14H,2,5-7,9,18H2,1H3.
What are the key properties of 4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one?
4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one has a molecular weight of 331.24 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one is sourced from PubChem (CID 120562102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).