1-(3-bromophenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine

C16H25BrN2O — CID 43779491

IUPAC1-(3-bromophenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
SMILESCCC(NC(C)CN1CCOCC1)c1cccc(Br)c1
InChIInChI=1S/C16H25BrN2O/c1-3-16(14-5-4-6-15(17)11-14)18-13(2)12-19-7-9-20-10-8-19/h4-6,11,13,16,18H,3,7-10,12H2,1-2H3
InChIKeyHPKAFFQXLCIMPO-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.21
Rot. Bonds6

About 1-(3-bromophenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine

1-(3-bromophenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine (PubChem CID 43779491) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
PubChem CID43779491
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name1-(3-bromophenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
SMILESCCC(NC(C)CN1CCOCC1)c1cccc(Br)c1
InChIInChI=1S/C16H25BrN2O/c1-3-16(14-5-4-6-15(17)11-14)18-13(2)12-19-7-9-20-10-8-19/h4-6,11,13,16,18H,3,7-10,12H2,1-2H3
InChIKeyHPKAFFQXLCIMPO-UHFFFAOYSA-N
XLogP3.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359
4-[2-(3-bromophenyl)propyl]morpholine
CID 12805117
2-[1-(3-bromophenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 115889708
1-(3-bromophenyl)-2-(1-morpholin-4-ylpropan-2-ylamino)ethanol
CID 60969893
1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
CID 43675888
1-(3-bromophenyl)-N-ethyl-3-morpholin-4-ylpropan-1-amine
CID 55094941
N-[1-(3-bromophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749141
N-[1-(3-bromophenyl)propyl]pent-4-yn-2-amine
CID 115725334
1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)propan-1-amine
CID 43749137
3-N-[1-(3-bromophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963370
3-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]benzonitrile
CID 43779519
N-[1-(3-bromophenyl)propyl]but-3-yn-2-amine
CID 114415261

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine (CID 43779491) is 1-(3-bromophenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine is CCC(NC(C)CN1CCOCC1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine?
The InChIKey is HPKAFFQXLCIMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-3-16(14-5-4-6-15(17)11-14)18-13(2)12-19-7-9-20-10-8-19/h4-6,11,13,16,18H,3,7-10,12H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine?
1-(3-bromophenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine has a molecular weight of 341.29 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine is sourced from PubChem (CID 43779491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).