1-(4-bromophenyl)-2-morpholin-4-ylpropan-1-amine

C13H19BrN2O — CID 91515805

IUPAC1-(4-bromophenyl)-2-morpholin-4-ylpropan-1-amine
SMILESCC(C(N)c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C13H19BrN2O/c1-10(16-6-8-17-9-7-16)13(15)11-2-4-12(14)5-3-11/h2-5,10,13H,6-9,15H2,1H3
InChIKeyVMUQLOPFLLAJNA-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.17
Rot. Bonds3

About 1-(4-bromophenyl)-2-morpholin-4-ylpropan-1-amine

1-(4-bromophenyl)-2-morpholin-4-ylpropan-1-amine (PubChem CID 91515805) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-morpholin-4-ylpropan-1-amine
PubChem CID91515805
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name1-(4-bromophenyl)-2-morpholin-4-ylpropan-1-amine
SMILESCC(C(N)c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C13H19BrN2O/c1-10(16-6-8-17-9-7-16)13(15)11-2-4-12(14)5-3-11/h2-5,10,13H,6-9,15H2,1H3
InChIKeyVMUQLOPFLLAJNA-UHFFFAOYSA-N
XLogP2.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(4-bromophenoxy)ethyl]morpholine
CID 18446587
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid
CID 93297485
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile
CID 703306
1-(4-fluorophenyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 16790834
(1S)-2-methyl-1-(4-morpholin-4-ylphenyl)propan-1-amine
CID 124563582
1-(4-bromophenyl)-1-(2-methylmorpholin-4-yl)propan-2-amine
CID 55016115
(3R,4S)-4-(4-bromophenyl)-3,4-dimorpholin-4-ylbutan-2-one
CID 92573477
4-(1-morpholin-4-ylethyl)aniline
CID 50987527
(1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol
CID 59069368
(1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol
CID 177420176
2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-amine
CID 16786190
(2S,3S)-2-(4-bromophenyl)-3-(4-methylphenyl)-3-morpholin-4-ylpropanenitrile
CID 26793545

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-2-morpholin-4-ylpropan-1-amine (CID 91515805) is 1-(4-bromophenyl)-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-2-morpholin-4-ylpropan-1-amine is CC(C(N)c1ccc(Br)cc1)N1CCOCC1.
What is the InChIKey of 1-(4-bromophenyl)-2-morpholin-4-ylpropan-1-amine?
The InChIKey is VMUQLOPFLLAJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10(16-6-8-17-9-7-16)13(15)11-2-4-12(14)5-3-11/h2-5,10,13H,6-9,15H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-morpholin-4-ylpropan-1-amine?
1-(4-bromophenyl)-2-morpholin-4-ylpropan-1-amine has a molecular weight of 299.21 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 91515805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).