1-(4-bromophenyl)-N-ethyl-3-(3-methylmorpholin-4-yl)propan-1-amine

C16H25BrN2O — CID 62619080

IUPAC1-(4-bromophenyl)-N-ethyl-3-(3-methylmorpholin-4-yl)propan-1-amine
SMILESCCNC(CCN1CCOCC1C)c1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O/c1-3-18-16(14-4-6-15(17)7-5-14)8-9-19-10-11-20-12-13(19)2/h4-7,13,16,18H,3,8-12H2,1-2H3
InChIKeyHSJVJTYXINZTFM-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.21
Rot. Bonds6

About 1-(4-bromophenyl)-N-ethyl-3-(3-methylmorpholin-4-yl)propan-1-amine

1-(4-bromophenyl)-N-ethyl-3-(3-methylmorpholin-4-yl)propan-1-amine (PubChem CID 62619080) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-ethyl-3-(3-methylmorpholin-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-ethyl-3-(3-methylmorpholin-4-yl)propan-1-amine
PubChem CID62619080
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name1-(4-bromophenyl)-N-ethyl-3-(3-methylmorpholin-4-yl)propan-1-amine
SMILESCCNC(CCN1CCOCC1C)c1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O/c1-3-18-16(14-4-6-15(17)7-5-14)8-9-19-10-11-20-12-13(19)2/h4-7,13,16,18H,3,8-12H2,1-2H3
InChIKeyHSJVJTYXINZTFM-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-ethyl-3-(3-ethylmorpholin-4-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62645364
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-bromophenyl)-N-ethylpropan-1-amine
CID 62619810
1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine
CID 62618198
1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62617347
N-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62613985
N-ethyl-1-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 62617686
1-(3-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol
CID 55099044
1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol
CID 62628763
1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62643785
1-[3-(4-bromophenyl)-3-(ethylamino)propyl]piperidin-3-ol
CID 62618442
1-(2-fluorophenyl)-N-methyl-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62644652
1-(2-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62629586

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-ethyl-3-(3-methylmorpholin-4-yl)propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-ethyl-3-(3-methylmorpholin-4-yl)propan-1-amine (CID 62619080) is 1-(4-bromophenyl)-N-ethyl-3-(3-methylmorpholin-4-yl)propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-ethyl-3-(3-methylmorpholin-4-yl)propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-ethyl-3-(3-methylmorpholin-4-yl)propan-1-amine is CCNC(CCN1CCOCC1C)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-ethyl-3-(3-methylmorpholin-4-yl)propan-1-amine?
The InChIKey is HSJVJTYXINZTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-3-18-16(14-4-6-15(17)7-5-14)8-9-19-10-11-20-12-13(19)2/h4-7,13,16,18H,3,8-12H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-ethyl-3-(3-methylmorpholin-4-yl)propan-1-amine?
1-(4-bromophenyl)-N-ethyl-3-(3-methylmorpholin-4-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-(4-bromophenyl)-N-ethyl-3-(3-methylmorpholin-4-yl)propan-1-amine is sourced from PubChem (CID 62619080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).