N-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine

C10H13BrClNO — CID 81294847

IUPACN-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H13BrClNO/c1-14-5-4-13-7-8-2-3-9(11)10(12)6-8/h2-3,6,13H,4-5,7H2,1H3
InChIKeyMUIIDJWJDREIDV-UHFFFAOYSA-N
MW278.58 g/mol
LogP2.84
Rot. Bonds5

About N-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine

N-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine (PubChem CID 81294847) has the molecular formula C10H13BrClNO and a molecular weight of 278.58 g/mol. Its IUPAC name is N-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine
PubChem CID81294847
Molecular FormulaC10H13BrClNO
Molecular Weight278.58 g/mol
Exact Mass276.99
IUPAC NameN-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H13BrClNO/c1-14-5-4-13-7-8-2-3-9(11)10(12)6-8/h2-3,6,13H,4-5,7H2,1H3
InChIKeyMUIIDJWJDREIDV-UHFFFAOYSA-N
XLogP2.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 52.84
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

N-[(4-bromo-3-chlorophenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 103581662
N'-[(3-bromo-4-chlorophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 107998990
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843684
N-[(4-bromo-3-chlorophenyl)methyl]propan-1-amine;fluoromethane
CID 142451886
N-[[3-bromo-4-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63062511
N-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]-2-methoxyethanamine
CID 65365160
N-[(4-bromo-3-chlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 103581569
N-[(4-bromo-3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 103581710
N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
CID 66161623
N-[[3,5-dibromo-4-(4-methoxybutoxy)phenyl]methyl]-2-methoxyethanamine
CID 107744687
4-[(4-bromo-3-chlorophenyl)methylamino]butan-1-ol
CID 171065990
3-[2-bromo-4-[(2-methoxyethylamino)methyl]phenoxy]propan-1-ol
CID 55147198

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine (CID 81294847) is N-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine is COCCNCc1ccc(Br)c(Cl)c1.
What is the InChIKey of N-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine?
The InChIKey is MUIIDJWJDREIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO/c1-14-5-4-13-7-8-2-3-9(11)10(12)6-8/h2-3,6,13H,4-5,7H2,1H3.
What are the key properties of N-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine?
N-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine has a molecular weight of 278.58 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 81294847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).