1-(3-bromophenyl)-1-(3-methylmorpholin-4-yl)butan-2-amine

C15H23BrN2O — CID 55019336

IUPAC1-(3-bromophenyl)-1-(3-methylmorpholin-4-yl)butan-2-amine
SMILESCCC(N)C(c1cccc(Br)c1)N1CCOCC1C
InChIInChI=1S/C15H23BrN2O/c1-3-14(17)15(12-5-4-6-13(16)9-12)18-7-8-19-10-11(18)2/h4-6,9,11,14-15H,3,7-8,10,17H2,1-2H3
InChIKeyFEMFHBUIVUBPPY-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.95
Rot. Bonds4

About 1-(3-bromophenyl)-1-(3-methylmorpholin-4-yl)butan-2-amine

1-(3-bromophenyl)-1-(3-methylmorpholin-4-yl)butan-2-amine (PubChem CID 55019336) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(3-methylmorpholin-4-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(3-methylmorpholin-4-yl)butan-2-amine
PubChem CID55019336
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-(3-bromophenyl)-1-(3-methylmorpholin-4-yl)butan-2-amine
SMILESCCC(N)C(c1cccc(Br)c1)N1CCOCC1C
InChIInChI=1S/C15H23BrN2O/c1-3-14(17)15(12-5-4-6-13(16)9-12)18-7-8-19-10-11(18)2/h4-6,9,11,14-15H,3,7-8,10,17H2,1-2H3
InChIKeyFEMFHBUIVUBPPY-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-(3-methylmorpholin-4-yl)-1-(4-methylphenyl)butan-2-amine
CID 55016533
1-(3-bromophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine
CID 55154267
1-(3-bromophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)butan-2-amine
CID 79189044
1-[2-amino-1-(3-bromophenyl)butyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166544
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(3-bromophenyl)butan-2-amine
CID 115559123
1-(3-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol
CID 55099044
1-(3-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)butan-2-amine
CID 62330118
1-(4-bromophenyl)-1-(2-methylpiperidin-1-yl)butan-2-amine
CID 55015972
1-(3-ethylmorpholin-4-yl)-1-(3-methylphenyl)propan-2-amine
CID 55020122
1-(3-bromophenyl)-1-(7,7-dimethyl-1,4-thiazepan-4-yl)butan-2-amine
CID 107453294
2-amino-1-(3-bromophenyl)butan-1-ol
CID 43566135
1-(3-bromophenyl)-1-(4,5-dimethylimidazol-1-yl)butan-2-amine
CID 62351583

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(3-methylmorpholin-4-yl)butan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-1-(3-methylmorpholin-4-yl)butan-2-amine (CID 55019336) is 1-(3-bromophenyl)-1-(3-methylmorpholin-4-yl)butan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-1-(3-methylmorpholin-4-yl)butan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-1-(3-methylmorpholin-4-yl)butan-2-amine is CCC(N)C(c1cccc(Br)c1)N1CCOCC1C.
What is the InChIKey of 1-(3-bromophenyl)-1-(3-methylmorpholin-4-yl)butan-2-amine?
The InChIKey is FEMFHBUIVUBPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-3-14(17)15(12-5-4-6-13(16)9-12)18-7-8-19-10-11(18)2/h4-6,9,11,14-15H,3,7-8,10,17H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-1-(3-methylmorpholin-4-yl)butan-2-amine?
1-(3-bromophenyl)-1-(3-methylmorpholin-4-yl)butan-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-(3-bromophenyl)-1-(3-methylmorpholin-4-yl)butan-2-amine is sourced from PubChem (CID 55019336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).