1-(3-bromophenyl)-N-ethyl-3-morpholin-4-ylpropan-1-amine

C15H23BrN2O — CID 55094941

IUPAC1-(3-bromophenyl)-N-ethyl-3-morpholin-4-ylpropan-1-amine
SMILESCCNC(CCN1CCOCC1)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-2-17-15(13-4-3-5-14(16)12-13)6-7-18-8-10-19-11-9-18/h3-5,12,15,17H,2,6-11H2,1H3
InChIKeyWWIXNWWBFUXGED-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.82
Rot. Bonds6

About 1-(3-bromophenyl)-N-ethyl-3-morpholin-4-ylpropan-1-amine

1-(3-bromophenyl)-N-ethyl-3-morpholin-4-ylpropan-1-amine (PubChem CID 55094941) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-ethyl-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-ethyl-3-morpholin-4-ylpropan-1-amine
PubChem CID55094941
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-(3-bromophenyl)-N-ethyl-3-morpholin-4-ylpropan-1-amine
SMILESCCNC(CCN1CCOCC1)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-2-17-15(13-4-3-5-14(16)12-13)6-7-18-8-10-19-11-9-18/h3-5,12,15,17H,2,6-11H2,1H3
InChIKeyWWIXNWWBFUXGED-UHFFFAOYSA-N
XLogP2.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.82
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
1-(3-bromophenyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropan-1-amine
CID 62612497
1-(3-bromophenyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 62618370
4-[2-(3-bromophenyl)propyl]morpholine
CID 12805117
1-(3-bromophenyl)-3-(4-ethylpiperidin-1-yl)-N-methylpropan-1-amine
CID 62618283
1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine
CID 62618198
1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 54919438
1-[3-(3-bromophenyl)-3-(methylamino)propyl]piperidin-4-ol
CID 62614162
1-[3-(3-bromophenyl)-3-(propylamino)propyl]-3-methylpyrrolidin-3-ol
CID 103358505
N-ethyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-amine
CID 79109421
1-(3-bromophenyl)-3-(4-methoxypiperidin-1-yl)-N-methylpropan-1-amine
CID 62618049
1-(3-bromophenyl)-2-(1-morpholin-4-ylpropan-2-ylamino)ethanol
CID 60969893

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-ethyl-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-N-ethyl-3-morpholin-4-ylpropan-1-amine (CID 55094941) is 1-(3-bromophenyl)-N-ethyl-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-ethyl-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-ethyl-3-morpholin-4-ylpropan-1-amine is CCNC(CCN1CCOCC1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-ethyl-3-morpholin-4-ylpropan-1-amine?
The InChIKey is WWIXNWWBFUXGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-2-17-15(13-4-3-5-14(16)12-13)6-7-18-8-10-19-11-9-18/h3-5,12,15,17H,2,6-11H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-ethyl-3-morpholin-4-ylpropan-1-amine?
1-(3-bromophenyl)-N-ethyl-3-morpholin-4-ylpropan-1-amine has a molecular weight of 327.27 g/mol, XLogP of 2.82, 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-ethyl-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 55094941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).