1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine

C12H17BrN2O — CID 62908814

IUPAC1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine
SMILESCC(N)c1ccc(N2CCOCC2)c(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-9(14)10-2-3-12(11(13)8-10)15-4-6-16-7-5-15/h2-3,8-9H,4-7,14H2,1H3
InChIKeyPWOBQDCDMNRGLD-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.31
Rot. Bonds2

About 1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine

1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine (PubChem CID 62908814) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine
PubChem CID62908814
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine
SMILESCC(N)c1ccc(N2CCOCC2)c(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-9(14)10-2-3-12(11(13)8-10)15-4-6-16-7-5-15/h2-3,8-9H,4-7,14H2,1H3
InChIKeyPWOBQDCDMNRGLD-UHFFFAOYSA-N
XLogP2.31
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-bromo-4-(1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62973068
(1S)-1-[3-bromo-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 78935877
(1S)-1-[3-bromo-4-(4-methylpiperidin-1-yl)phenyl]ethanamine
CID 78935793
1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine
CID 62911018
1-[4-[4-(1-aminoethyl)-2-bromophenyl]piperazin-1-yl]ethanone
CID 62907807
(1S)-1-[3-bromo-4-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63624095
1-[3-bromo-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
CID 114410367
(1S)-1-[3-bromo-4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanamine
CID 63368310
(1S)-1-[3-bromo-4-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 104937425
(1R)-1-[3-bromo-4-(3,4-dimethylpiperidin-1-yl)phenyl]ethanamine
CID 104874422
(1R)-1-[3-bromo-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanamine
CID 78930470
(1S)-1-[3-bromo-4-(4-propylazepan-1-yl)phenyl]ethanamine
CID 78992773

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine?
The IUPAC name of 1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine (CID 62908814) is 1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine is CC(N)c1ccc(N2CCOCC2)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine?
The InChIKey is PWOBQDCDMNRGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9(14)10-2-3-12(11(13)8-10)15-4-6-16-7-5-15/h2-3,8-9H,4-7,14H2,1H3.
What are the key properties of 1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine?
1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine has a molecular weight of 285.19 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine is sourced from PubChem (CID 62908814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).