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

C14H21BrN2O — CID 55236797

IUPAC1-[4-bromo-2-(3-methylmorpholin-4-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Br)cc1N1CCOCC1C
InChIInChI=1S/C14H21BrN2O/c1-10(16)7-12-3-4-13(15)8-14(12)17-5-6-18-9-11(17)2/h3-4,8,10-11H,5-7,9,16H2,1-2H3
InChIKeyOPLZDVXFGSGUOF-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.56
Rot. Bonds3

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

1-[4-bromo-2-(3-methylmorpholin-4-yl)phenyl]propan-2-amine (PubChem CID 55236797) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-[4-bromo-2-(3-methylmorpholin-4-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-bromo-2-(3-methylmorpholin-4-yl)phenyl]propan-2-amine
PubChem CID55236797
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name1-[4-bromo-2-(3-methylmorpholin-4-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Br)cc1N1CCOCC1C
InChIInChI=1S/C14H21BrN2O/c1-10(16)7-12-3-4-13(15)8-14(12)17-5-6-18-9-11(17)2/h3-4,8,10-11H,5-7,9,16H2,1-2H3
InChIKeyOPLZDVXFGSGUOF-UHFFFAOYSA-N
XLogP2.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]propan-2-amine
CID 55236414
(3S)-4-(5-bromo-2-methoxyphenyl)-3-methylmorpholine
CID 175067337
1-(4-bromo-2-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787239
1-[4-bromo-2-(2-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 63785737
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-bromophenyl]propan-2-amine
CID 65322122
1-[2-fluoro-6-(3-methylmorpholin-4-yl)phenyl]propan-2-amine
CID 114065968
1-(5-bromo-2-morpholin-4-ylphenyl)propan-2-amine;hydrochloride
CID 170894305
1-[5-bromo-2-(3-methylmorpholin-4-yl)phenyl]ethanone
CID 82967588
2-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]ethanamine
CID 63782402
5-bromo-N'-hydroxy-2-(3-methylmorpholin-4-yl)benzenecarboximidamide
CID 114892403
(3R)-4-(4-bromophenyl)-3-methylmorpholine
CID 134252905
1-[4-bromo-2-(2,4-dimethylpiperidin-1-yl)phenyl]butan-2-amine
CID 63795722

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(3-methylmorpholin-4-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-bromo-2-(3-methylmorpholin-4-yl)phenyl]propan-2-amine (CID 55236797) is 1-[4-bromo-2-(3-methylmorpholin-4-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-bromo-2-(3-methylmorpholin-4-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-bromo-2-(3-methylmorpholin-4-yl)phenyl]propan-2-amine is CC(N)Cc1ccc(Br)cc1N1CCOCC1C.
What is the InChIKey of 1-[4-bromo-2-(3-methylmorpholin-4-yl)phenyl]propan-2-amine?
The InChIKey is OPLZDVXFGSGUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-10(16)7-12-3-4-13(15)8-14(12)17-5-6-18-9-11(17)2/h3-4,8,10-11H,5-7,9,16H2,1-2H3.
What are the key properties of 1-[4-bromo-2-(3-methylmorpholin-4-yl)phenyl]propan-2-amine?
1-[4-bromo-2-(3-methylmorpholin-4-yl)phenyl]propan-2-amine has a molecular weight of 313.24 g/mol, XLogP of 2.56, 3 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-methylmorpholin-4-yl)phenyl]propan-2-amine is sourced from PubChem (CID 55236797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).