1-(2-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-N-ethylpropan-1-amine

C17H27BrN2O — CID 62630064

IUPAC1-(2-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-N-ethylpropan-1-amine
SMILESCCNC(CCN1CC(C)OC(C)C1)c1ccccc1Br
InChIInChI=1S/C17H27BrN2O/c1-4-19-17(15-7-5-6-8-16(15)18)9-10-20-11-13(2)21-14(3)12-20/h5-8,13-14,17,19H,4,9-12H2,1-3H3
InChIKeyWDDONROALDLUFQ-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.60
Rot. Bonds6

About 1-(2-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-N-ethylpropan-1-amine

1-(2-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-N-ethylpropan-1-amine (PubChem CID 62630064) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-N-ethylpropan-1-amine
PubChem CID62630064
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name1-(2-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-N-ethylpropan-1-amine
SMILESCCNC(CCN1CC(C)OC(C)C1)c1ccccc1Br
InChIInChI=1S/C17H27BrN2O/c1-4-19-17(15-7-5-6-8-16(15)18)9-10-20-11-13(2)21-14(3)12-20/h5-8,13-14,17,19H,4,9-12H2,1-3H3
InChIKeyWDDONROALDLUFQ-UHFFFAOYSA-N
XLogP3.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-bromophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol
CID 102966991
1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63484292
3-(3,5-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63481940
1-(2-bromophenyl)-N-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62972451
1-[3-(2-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol
CID 62630911
1-(2-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62629267
1-(2-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
CID 114209930
N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114539589
1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine
CID 63417467
1-(2-bromophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-ol
CID 79184405
3-(3,4-dimethylpiperazin-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine
CID 63634964
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 62126641

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-N-ethylpropan-1-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-N-ethylpropan-1-amine (CID 62630064) is 1-(2-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-N-ethylpropan-1-amine is CCNC(CCN1CC(C)OC(C)C1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-N-ethylpropan-1-amine?
The InChIKey is WDDONROALDLUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-4-19-17(15-7-5-6-8-16(15)18)9-10-20-11-13(2)21-14(3)12-20/h5-8,13-14,17,19H,4,9-12H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-N-ethylpropan-1-amine?
1-(2-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-N-ethylpropan-1-amine has a molecular weight of 355.32 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 62630064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).