1-(2,4-dibromophenyl)-N-(2-morpholin-4-ylethyl)ethanamine

C14H20Br2N2O — CID 60781399

IUPAC1-(2,4-dibromophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
SMILESCC(NCCN1CCOCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H20Br2N2O/c1-11(13-3-2-12(15)10-14(13)16)17-4-5-18-6-8-19-9-7-18/h2-3,10-11,17H,4-9H2,1H3
InChIKeyKZDYUOJNHUHLMC-UHFFFAOYSA-N
MW392.14 g/mol
LogP3.19
Rot. Bonds5

About 1-(2,4-dibromophenyl)-N-(2-morpholin-4-ylethyl)ethanamine

1-(2,4-dibromophenyl)-N-(2-morpholin-4-ylethyl)ethanamine (PubChem CID 60781399) has the molecular formula C14H20Br2N2O and a molecular weight of 392.14 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-N-(2-morpholin-4-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
PubChem CID60781399
Molecular FormulaC14H20Br2N2O
Molecular Weight392.14 g/mol
Exact Mass389.99
IUPAC Name1-(2,4-dibromophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
SMILESCC(NCCN1CCOCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H20Br2N2O/c1-11(13-3-2-12(15)10-14(13)16)17-4-5-18-6-8-19-9-7-18/h2-3,10-11,17H,4-9H2,1H3
InChIKeyKZDYUOJNHUHLMC-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.14
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine
CID 63454032
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 82773805
1-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43079142
1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178928
5-methyl-2-[1-(2-morpholin-4-ylethylamino)ethyl]phenol
CID 43201456
2-[1-(2-morpholin-4-ylethylamino)ethyl]benzene-1,4-diol
CID 43195502
N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204957
1-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178907
1-(2,4-dibromophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 114515232
4-methoxy-2-[1-(2-morpholin-4-ylethylamino)ethyl]phenol
CID 43195506
N-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 60781144
1-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178917

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-N-(2-morpholin-4-ylethyl)ethanamine?
The IUPAC name of 1-(2,4-dibromophenyl)-N-(2-morpholin-4-ylethyl)ethanamine (CID 60781399) is 1-(2,4-dibromophenyl)-N-(2-morpholin-4-ylethyl)ethanamine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-N-(2-morpholin-4-ylethyl)ethanamine?
The canonical SMILES for 1-(2,4-dibromophenyl)-N-(2-morpholin-4-ylethyl)ethanamine is CC(NCCN1CCOCC1)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-N-(2-morpholin-4-ylethyl)ethanamine?
The InChIKey is KZDYUOJNHUHLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O/c1-11(13-3-2-12(15)10-14(13)16)17-4-5-18-6-8-19-9-7-18/h2-3,10-11,17H,4-9H2,1H3.
What are the key properties of 1-(2,4-dibromophenyl)-N-(2-morpholin-4-ylethyl)ethanamine?
1-(2,4-dibromophenyl)-N-(2-morpholin-4-ylethyl)ethanamine has a molecular weight of 392.14 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-N-(2-morpholin-4-ylethyl)ethanamine is sourced from PubChem (CID 60781399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).