2-bromo-N-(2-methoxyethyl)-5-methylaniline

C10H14BrNO — CID 82757107

IUPAC2-bromo-N-(2-methoxyethyl)-5-methylaniline
SMILESCOCCNc1cc(C)ccc1Br
InChIInChI=1S/C10H14BrNO/c1-8-3-4-9(11)10(7-8)12-5-6-13-2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyVWSNHZQRRNQPOP-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.82
Rot. Bonds4

About 2-bromo-N-(2-methoxyethyl)-5-methylaniline

2-bromo-N-(2-methoxyethyl)-5-methylaniline (PubChem CID 82757107) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxyethyl)-5-methylaniline.

Molecular Properties

Compound Name2-bromo-N-(2-methoxyethyl)-5-methylaniline
PubChem CID82757107
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name2-bromo-N-(2-methoxyethyl)-5-methylaniline
SMILESCOCCNc1cc(C)ccc1Br
InChIInChI=1S/C10H14BrNO/c1-8-3-4-9(11)10(7-8)12-5-6-13-2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyVWSNHZQRRNQPOP-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-iodo-N-(2-methoxyethyl)aniline
CID 126975654
2-bromo-5-fluoro-N-(2-methoxyethyl)aniline
CID 107635967
2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide
CID 82757718
2-bromo-N-(3-ethoxypropyl)-5-methylaniline
CID 82757543
5-bromo-N-(2-methoxyethyl)-2-methylaniline
CID 43806040
2-bromo-5-methyl-N-(3-methylsulfanylpropyl)aniline
CID 82761327
2,6-dibromo-N-(2-methoxyethyl)-4-methylaniline
CID 28991485
2-bromo-5-methyl-N-[(4-methylphenyl)methyl]aniline
CID 82760988
ethane;N-(2-methoxyethyl)-4-methyl-2-propylaniline
CID 153334759
2-bromo-5-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 82757124
1-N-(2-bromo-5-methylphenyl)-2-methylpropane-1,2-diamine
CID 126984180
2-bromo-5-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 82757110

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxyethyl)-5-methylaniline?
The IUPAC name of 2-bromo-N-(2-methoxyethyl)-5-methylaniline (CID 82757107) is 2-bromo-N-(2-methoxyethyl)-5-methylaniline.
What is the SMILES notation for 2-bromo-N-(2-methoxyethyl)-5-methylaniline?
The canonical SMILES for 2-bromo-N-(2-methoxyethyl)-5-methylaniline is COCCNc1cc(C)ccc1Br.
What is the InChIKey of 2-bromo-N-(2-methoxyethyl)-5-methylaniline?
The InChIKey is VWSNHZQRRNQPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-8-3-4-9(11)10(7-8)12-5-6-13-2/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 2-bromo-N-(2-methoxyethyl)-5-methylaniline?
2-bromo-N-(2-methoxyethyl)-5-methylaniline has a molecular weight of 244.13 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxyethyl)-5-methylaniline is sourced from PubChem (CID 82757107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).