1-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]propan-2-amine

C15H23BrN2O — CID 55236414

IUPAC1-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]propan-2-amine
SMILESCCC1COCCN1c1cc(Br)ccc1CC(C)N
InChIInChI=1S/C15H23BrN2O/c1-3-14-10-19-7-6-18(14)15-9-13(16)5-4-12(15)8-11(2)17/h4-5,9,11,14H,3,6-8,10,17H2,1-2H3
InChIKeyHLAZKVKTYBTYAV-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.95
Rot. Bonds4

About 1-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]propan-2-amine

1-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]propan-2-amine (PubChem CID 55236414) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]propan-2-amine
PubChem CID55236414
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]propan-2-amine
SMILESCCC1COCCN1c1cc(Br)ccc1CC(C)N
InChIInChI=1S/C15H23BrN2O/c1-3-14-10-19-7-6-18(14)15-9-13(16)5-4-12(15)8-11(2)17/h4-5,9,11,14H,3,6-8,10,17H2,1-2H3
InChIKeyHLAZKVKTYBTYAV-UHFFFAOYSA-N
XLogP2.95
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-2-(3-methylmorpholin-4-yl)phenyl]propan-2-amine
CID 55236797
2-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]ethanamine
CID 63782402
1-[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 63785737
4-bromo-2-(3-ethylmorpholin-4-yl)aniline
CID 65343373
1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]propan-2-amine
CID 63785668
1-[4-(3-ethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine
CID 63785664
[4-chloro-2-(3-ethylmorpholin-4-yl)phenyl]methanamine
CID 63082825
1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787239
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-bromophenyl]propan-2-amine
CID 65322122
4-[2-(bromomethyl)phenyl]-3-ethylmorpholine
CID 107080607
1-(5-bromo-2-morpholin-4-ylphenyl)propan-2-amine;hydrochloride
CID 170894305
1-[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]butan-2-amine
CID 63785824

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]propan-2-amine (CID 55236414) is 1-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]propan-2-amine is CCC1COCCN1c1cc(Br)ccc1CC(C)N.
What is the InChIKey of 1-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]propan-2-amine?
The InChIKey is HLAZKVKTYBTYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-3-14-10-19-7-6-18(14)15-9-13(16)5-4-12(15)8-11(2)17/h4-5,9,11,14H,3,6-8,10,17H2,1-2H3.
What are the key properties of 1-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]propan-2-amine?
1-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]propan-2-amine has a molecular weight of 327.27 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]propan-2-amine is sourced from PubChem (CID 55236414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).