2-[1-(3-bromophenyl)propylamino]-1-morpholin-4-ylpropan-1-one

C16H23BrN2O2 — CID 115889708

IUPAC2-[1-(3-bromophenyl)propylamino]-1-morpholin-4-ylpropan-1-one
SMILESCCC(NC(C)C(=O)N1CCOCC1)c1cccc(Br)c1
InChIInChI=1S/C16H23BrN2O2/c1-3-15(13-5-4-6-14(17)11-13)18-12(2)16(20)19-7-9-21-10-8-19/h4-6,11-12,15,18H,3,7-10H2,1-2H3
InChIKeyTYLXNKAOPOMNEB-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.74
Rot. Bonds5

About 2-[1-(3-bromophenyl)propylamino]-1-morpholin-4-ylpropan-1-one

2-[1-(3-bromophenyl)propylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 115889708) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-[1-(3-bromophenyl)propylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[1-(3-bromophenyl)propylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID115889708
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name2-[1-(3-bromophenyl)propylamino]-1-morpholin-4-ylpropan-1-one
SMILESCCC(NC(C)C(=O)N1CCOCC1)c1cccc(Br)c1
InChIInChI=1S/C16H23BrN2O2/c1-3-15(13-5-4-6-14(17)11-13)18-12(2)16(20)19-7-9-21-10-8-19/h4-6,11-12,15,18H,3,7-10H2,1-2H3
InChIKeyTYLXNKAOPOMNEB-UHFFFAOYSA-N
XLogP2.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
CID 43779491
2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81354077
N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359
2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide
CID 106344282
2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81383364
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)-1-morpholin-4-ylethanone
CID 68854082
2-[1-(2,6-difluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115588993
2-[1-(3-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 112551286
1-(3-bromophenyl)-N-ethyl-3-morpholin-4-ylpropan-1-amine
CID 55094941
2-[(4-bromo-2-chlorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115595203
2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 47016534

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromophenyl)propylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[1-(3-bromophenyl)propylamino]-1-morpholin-4-ylpropan-1-one (CID 115889708) is 2-[1-(3-bromophenyl)propylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[1-(3-bromophenyl)propylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[1-(3-bromophenyl)propylamino]-1-morpholin-4-ylpropan-1-one is CCC(NC(C)C(=O)N1CCOCC1)c1cccc(Br)c1.
What is the InChIKey of 2-[1-(3-bromophenyl)propylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is TYLXNKAOPOMNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-3-15(13-5-4-6-14(17)11-13)18-12(2)16(20)19-7-9-21-10-8-19/h4-6,11-12,15,18H,3,7-10H2,1-2H3.
What are the key properties of 2-[1-(3-bromophenyl)propylamino]-1-morpholin-4-ylpropan-1-one?
2-[1-(3-bromophenyl)propylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 355.28 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromophenyl)propylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 115889708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).