4-[2-amino-1-(3-bromophenyl)propyl]morpholine-2-carbonitrile

C14H18BrN3O — CID 79664099

IUPAC4-[2-amino-1-(3-bromophenyl)propyl]morpholine-2-carbonitrile
SMILESCC(N)C(c1cccc(Br)c1)N1CCOC(C#N)C1
InChIInChI=1S/C14H18BrN3O/c1-10(17)14(11-3-2-4-12(15)7-11)18-5-6-19-13(8-16)9-18/h2-4,7,10,13-14H,5-6,9,17H2,1H3
InChIKeyXICOLOVQCBYDAB-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.06
Rot. Bonds3

About 4-[2-amino-1-(3-bromophenyl)propyl]morpholine-2-carbonitrile

4-[2-amino-1-(3-bromophenyl)propyl]morpholine-2-carbonitrile (PubChem CID 79664099) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 4-[2-amino-1-(3-bromophenyl)propyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-amino-1-(3-bromophenyl)propyl]morpholine-2-carbonitrile
PubChem CID79664099
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name4-[2-amino-1-(3-bromophenyl)propyl]morpholine-2-carbonitrile
SMILESCC(N)C(c1cccc(Br)c1)N1CCOC(C#N)C1
InChIInChI=1S/C14H18BrN3O/c1-10(17)14(11-3-2-4-12(15)7-11)18-5-6-19-13(8-16)9-18/h2-4,7,10,13-14H,5-6,9,17H2,1H3
InChIKeyXICOLOVQCBYDAB-UHFFFAOYSA-N
XLogP2.06
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-amino-1-(4-bromothiophen-2-yl)propyl]morpholine-2-carbonitrile
CID 79674686
(2R)-4-[(1R)-1-phenylethyl]morpholine-2-carbonitrile
CID 71421335
4-[2-(1-aminoethyl)-4-bromophenyl]morpholine-2-carbonitrile
CID 82968886
4-[2-(1-aminoethyl)-5-bromophenyl]morpholine-2-carbonitrile
CID 82968607
1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019574
1-(3-bromophenyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171539
1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine
CID 106585979
1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine
CID 63404037
4-[2-amino-1-(4-bromophenyl)ethyl]morpholine-2-carbonitrile
CID 79674509
1-(3-bromophenyl)-1-(3-methoxypiperidin-1-yl)propan-2-amine
CID 102956347
2-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 16792080
2-[2-amino-1-(3-bromophenyl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82857252

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(3-bromophenyl)propyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[2-amino-1-(3-bromophenyl)propyl]morpholine-2-carbonitrile (CID 79664099) is 4-[2-amino-1-(3-bromophenyl)propyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[2-amino-1-(3-bromophenyl)propyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[2-amino-1-(3-bromophenyl)propyl]morpholine-2-carbonitrile is CC(N)C(c1cccc(Br)c1)N1CCOC(C#N)C1.
What is the InChIKey of 4-[2-amino-1-(3-bromophenyl)propyl]morpholine-2-carbonitrile?
The InChIKey is XICOLOVQCBYDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-10(17)14(11-3-2-4-12(15)7-11)18-5-6-19-13(8-16)9-18/h2-4,7,10,13-14H,5-6,9,17H2,1H3.
What are the key properties of 4-[2-amino-1-(3-bromophenyl)propyl]morpholine-2-carbonitrile?
4-[2-amino-1-(3-bromophenyl)propyl]morpholine-2-carbonitrile has a molecular weight of 324.22 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(3-bromophenyl)propyl]morpholine-2-carbonitrile is sourced from PubChem (CID 79664099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).