2-bromo-N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]aniline

C14H21BrN2O — CID 62561906

IUPAC2-bromo-N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]aniline
SMILESCC1CN(CCNc2ccccc2Br)C(C)CO1
InChIInChI=1S/C14H21BrN2O/c1-11-10-18-12(2)9-17(11)8-7-16-14-6-4-3-5-13(14)15/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyMJMKUMXIAJLYKG-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.97
Rot. Bonds4

About 2-bromo-N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]aniline

2-bromo-N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]aniline (PubChem CID 62561906) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-bromo-N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]aniline
PubChem CID62561906
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-bromo-N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]aniline
SMILESCC1CN(CCNc2ccccc2Br)C(C)CO1
InChIInChI=1S/C14H21BrN2O/c1-11-10-18-12(2)9-17(11)8-7-16-14-6-4-3-5-13(14)15/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyMJMKUMXIAJLYKG-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]aniline?
The IUPAC name of 2-bromo-N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]aniline (CID 62561906) is 2-bromo-N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]aniline.
What is the SMILES notation for 2-bromo-N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]aniline?
The canonical SMILES for 2-bromo-N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]aniline is CC1CN(CCNc2ccccc2Br)C(C)CO1.
What is the InChIKey of 2-bromo-N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]aniline?
The InChIKey is MJMKUMXIAJLYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-11-10-18-12(2)9-17(11)8-7-16-14-6-4-3-5-13(14)15/h3-6,11-12,16H,7-10H2,1-2H3.
What are the key properties of 2-bromo-N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]aniline?
2-bromo-N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]aniline has a molecular weight of 313.24 g/mol, XLogP of 2.97, 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-(2,5-dimethylmorpholin-4-yl)ethyl]aniline is sourced from PubChem (CID 62561906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).