N-[1-(2,4-dichlorophenyl)ethyl]morpholin-4-amine

C12H16Cl2N2O — CID 83010331

IUPACN-[1-(2,4-dichlorophenyl)ethyl]morpholin-4-amine
SMILESCC(NN1CCOCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-9(15-16-4-6-17-7-5-16)11-3-2-10(13)8-12(11)14/h2-3,8-9,15H,4-7H2,1H3
InChIKeyQCSPNTWBZRDIHF-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.89
Rot. Bonds3

About N-[1-(2,4-dichlorophenyl)ethyl]morpholin-4-amine

N-[1-(2,4-dichlorophenyl)ethyl]morpholin-4-amine (PubChem CID 83010331) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]morpholin-4-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]morpholin-4-amine
PubChem CID83010331
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]morpholin-4-amine
SMILESCC(NN1CCOCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-9(15-16-4-6-17-7-5-16)11-3-2-10(13)8-12(11)14/h2-3,8-9,15H,4-7H2,1H3
InChIKeyQCSPNTWBZRDIHF-UHFFFAOYSA-N
XLogP2.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43079142
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 51928393
2-[1-(4-chloro-2-fluorophenyl)ethylamino]-1-morpholin-4-ylethanone
CID 167966859
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115760939
2-chloro-2-(2,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 62226501
N-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine
CID 43094066
N-[(2,4-dichlorophenyl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 43675759
(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 11738554
(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082094
N-[1-(2,4-dichlorophenyl)ethyl]but-2-yn-1-amine
CID 62312519
N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904235

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]morpholin-4-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]morpholin-4-amine (CID 83010331) is N-[1-(2,4-dichlorophenyl)ethyl]morpholin-4-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]morpholin-4-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]morpholin-4-amine is CC(NN1CCOCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]morpholin-4-amine?
The InChIKey is QCSPNTWBZRDIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-9(15-16-4-6-17-7-5-16)11-3-2-10(13)8-12(11)14/h2-3,8-9,15H,4-7H2,1H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]morpholin-4-amine?
N-[1-(2,4-dichlorophenyl)ethyl]morpholin-4-amine has a molecular weight of 275.18 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]morpholin-4-amine is sourced from PubChem (CID 83010331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).