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

C10H14BrNO — CID 43806040

IUPAC5-bromo-N-(2-methoxyethyl)-2-methylaniline
SMILESCOCCNc1cc(Br)ccc1C
InChIInChI=1S/C10H14BrNO/c1-8-3-4-9(11)7-10(8)12-5-6-13-2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyPBGFEXKKMPWIMU-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.82
Rot. Bonds4

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

5-bromo-N-(2-methoxyethyl)-2-methylaniline (PubChem CID 43806040) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxyethyl)-2-methylaniline.

Molecular Properties

Compound Name5-bromo-N-(2-methoxyethyl)-2-methylaniline
PubChem CID43806040
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name5-bromo-N-(2-methoxyethyl)-2-methylaniline
SMILESCOCCNc1cc(Br)ccc1C
InChIInChI=1S/C10H14BrNO/c1-8-3-4-9(11)7-10(8)12-5-6-13-2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyPBGFEXKKMPWIMU-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

5-bromo-N-[2-(3-methoxypropoxy)ethyl]-2-methylaniline
CID 103178607
5-bromo-2-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 61485193
2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)aniline
CID 114889645
methyl 2-(5-bromo-2-methylanilino)acetate
CID 43806066
2-bromo-N-(2-methoxyethyl)-5-methylaniline
CID 82757107
4-bromo-2-N-(3-methoxypropyl)benzene-1,2-diamine
CID 65343412
4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline
CID 98783881
5-bromo-2-methyl-N-(3-methylsulfanylpropyl)aniline
CID 43729408
5-bromo-2-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 103178584
N-(5-bromo-2-methylphenyl)-3-methoxypropane-1-sulfonamide
CID 55171348
4-bromo-2-N-(4-methoxybutyl)benzene-1,2-diamine
CID 65342774
5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylaniline
CID 43787845

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxyethyl)-2-methylaniline?
The IUPAC name of 5-bromo-N-(2-methoxyethyl)-2-methylaniline (CID 43806040) is 5-bromo-N-(2-methoxyethyl)-2-methylaniline.
What is the SMILES notation for 5-bromo-N-(2-methoxyethyl)-2-methylaniline?
The canonical SMILES for 5-bromo-N-(2-methoxyethyl)-2-methylaniline is COCCNc1cc(Br)ccc1C.
What is the InChIKey of 5-bromo-N-(2-methoxyethyl)-2-methylaniline?
The InChIKey is PBGFEXKKMPWIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-8-3-4-9(11)7-10(8)12-5-6-13-2/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 5-bromo-N-(2-methoxyethyl)-2-methylaniline?
5-bromo-N-(2-methoxyethyl)-2-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 5-bromo-N-(2-methoxyethyl)-2-methylaniline is sourced from PubChem (CID 43806040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).