N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine

C10H13BrClNO — CID 66161623

IUPACN-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(Cl)ccc1Br
InChIInChI=1S/C10H13BrClNO/c1-14-5-4-13-7-8-6-9(12)2-3-10(8)11/h2-3,6,13H,4-5,7H2,1H3
InChIKeyBYRJORDNVAQEKU-UHFFFAOYSA-N
MW278.58 g/mol
LogP2.84
Rot. Bonds5

About N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine

N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine (PubChem CID 66161623) has the molecular formula C10H13BrClNO and a molecular weight of 278.58 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
PubChem CID66161623
Molecular FormulaC10H13BrClNO
Molecular Weight278.58 g/mol
Exact Mass276.99
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(Cl)ccc1Br
InChIInChI=1S/C10H13BrClNO/c1-14-5-4-13-7-8-6-9(12)2-3-10(8)11/h2-3,6,13H,4-5,7H2,1H3
InChIKeyBYRJORDNVAQEKU-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'-[(2-bromo-4-chlorophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 107987659
1-[(2-bromo-5-chlorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 113244921
N-[(2-bromo-5-chlorophenyl)methyl]-2-cyclopentyloxyethanamine
CID 66161355
N-[(2-bromo-5-chlorophenyl)methyl]-2-(3-methylphenoxy)ethanamine
CID 66160166
N-[(2-bromo-5-chlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115732926
N-[(2-bromo-5-chlorophenyl)methyl]-2-methylsulfinylethanamine
CID 115660120
N-[[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63056038
N-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine
CID 81294847
N-[(4-chloro-2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 114863829
N-[(5-chloro-2-phenoxyphenyl)methyl]-2-methoxyethanamine
CID 114855689
N-[(2-bromo-5-chlorophenyl)methyl]-2-phenylethanamine
CID 66161236
N-[[5-chloro-2-(oxetan-3-ylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 114865012

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine (CID 66161623) is N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine is COCCNCc1cc(Cl)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine?
The InChIKey is BYRJORDNVAQEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO/c1-14-5-4-13-7-8-6-9(12)2-3-10(8)11/h2-3,6,13H,4-5,7H2,1H3.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine?
N-[(2-bromo-5-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-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 66161623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).