2-bromo-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline

C13H19BrN2O — CID 62573893

IUPAC2-bromo-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline
SMILESCC1CN(CCNc2ccccc2Br)CCO1
InChIInChI=1S/C13H19BrN2O/c1-11-10-16(8-9-17-11)7-6-15-13-5-3-2-4-12(13)14/h2-5,11,15H,6-10H2,1H3
InChIKeyCCOWGEPCODUVQF-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.58
Rot. Bonds4

About 2-bromo-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline

2-bromo-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline (PubChem CID 62573893) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-bromo-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline
PubChem CID62573893
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-bromo-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline
SMILESCC1CN(CCNc2ccccc2Br)CCO1
InChIInChI=1S/C13H19BrN2O/c1-11-10-16(8-9-17-11)7-6-15-13-5-3-2-4-12(13)14/h2-5,11,15H,6-10H2,1H3
InChIKeyCCOWGEPCODUVQF-UHFFFAOYSA-N
XLogP2.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]aniline
CID 62561906
2-bromo-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]aniline
CID 114540351
4-chloro-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline
CID 62574452
N-[2-(azocan-1-yl)ethyl]-2-bromoaniline
CID 55194723
2-bromo-N-[2-(3-methylmorpholin-4-yl)ethyl]aniline
CID 62561525
N-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-2-bromoaniline
CID 62558941
2-bromo-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]aniline
CID 62560115
2-bromo-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]aniline
CID 63167626
2-bromo-N-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethyl]aniline
CID 81195520
1-(furan-2-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine
CID 62573349
1-(2-bromophenyl)-N-methyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62972451
2-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline
CID 62574618

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline?
The IUPAC name of 2-bromo-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline (CID 62573893) is 2-bromo-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline.
What is the SMILES notation for 2-bromo-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline?
The canonical SMILES for 2-bromo-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline is CC1CN(CCNc2ccccc2Br)CCO1.
What is the InChIKey of 2-bromo-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline?
The InChIKey is CCOWGEPCODUVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-11-10-16(8-9-17-11)7-6-15-13-5-3-2-4-12(13)14/h2-5,11,15H,6-10H2,1H3.
What are the key properties of 2-bromo-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline?
2-bromo-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline has a molecular weight of 299.21 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline is sourced from PubChem (CID 62573893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).