N-[[4-bromo-2-(4-chlorophenoxy)phenyl]methyl]-2-methoxyethanamine

C16H17BrClNO2 — CID 63552735

IUPACN-[[4-bromo-2-(4-chlorophenoxy)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Br)cc1Oc1ccc(Cl)cc1
InChIInChI=1S/C16H17BrClNO2/c1-20-9-8-19-11-12-2-3-13(17)10-16(12)21-15-6-4-14(18)5-7-15/h2-7,10,19H,8-9,11H2,1H3
InChIKeySMMLFARZGNCYLS-UHFFFAOYSA-N
MW370.67 g/mol
LogP4.63
Rot. Bonds7

About N-[[4-bromo-2-(4-chlorophenoxy)phenyl]methyl]-2-methoxyethanamine

N-[[4-bromo-2-(4-chlorophenoxy)phenyl]methyl]-2-methoxyethanamine (PubChem CID 63552735) has the molecular formula C16H17BrClNO2 and a molecular weight of 370.67 g/mol. Its IUPAC name is N-[[4-bromo-2-(4-chlorophenoxy)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-bromo-2-(4-chlorophenoxy)phenyl]methyl]-2-methoxyethanamine
PubChem CID63552735
Molecular FormulaC16H17BrClNO2
Molecular Weight370.67 g/mol
Exact Mass369.01
IUPAC NameN-[[4-bromo-2-(4-chlorophenoxy)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Br)cc1Oc1ccc(Cl)cc1
InChIInChI=1S/C16H17BrClNO2/c1-20-9-8-19-11-12-2-3-13(17)10-16(12)21-15-6-4-14(18)5-7-15/h2-7,10,19H,8-9,11H2,1H3
InChIKeySMMLFARZGNCYLS-UHFFFAOYSA-N
XLogP4.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(5-bromo-2-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 114674371
4-bromo-1-(chloromethyl)-2-(4-chlorophenoxy)benzene
CID 43174130
N-[[5-chloro-2-(4-iodophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 114856111
N-[[4-bromo-2-(4-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 43283161
N-[(5-chloro-2-phenoxyphenyl)methyl]-2-methoxyethanamine
CID 114855689
N-[[4-bromo-2-(3-chlorophenoxy)phenyl]methyl]propan-1-amine
CID 43283242
N'-[(2-bromo-4-chlorophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 107987659
N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
CID 66161623
N'-[(2,4-dibromophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 107938729
N-[[4-bromo-2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552178
N-[[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methoxyethanamine
CID 114856955
N-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 115595290

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-2-(4-chlorophenoxy)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-bromo-2-(4-chlorophenoxy)phenyl]methyl]-2-methoxyethanamine (CID 63552735) is N-[[4-bromo-2-(4-chlorophenoxy)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-bromo-2-(4-chlorophenoxy)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-bromo-2-(4-chlorophenoxy)phenyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(Br)cc1Oc1ccc(Cl)cc1.
What is the InChIKey of N-[[4-bromo-2-(4-chlorophenoxy)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is SMMLFARZGNCYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO2/c1-20-9-8-19-11-12-2-3-13(17)10-16(12)21-15-6-4-14(18)5-7-15/h2-7,10,19H,8-9,11H2,1H3.
What are the key properties of N-[[4-bromo-2-(4-chlorophenoxy)phenyl]methyl]-2-methoxyethanamine?
N-[[4-bromo-2-(4-chlorophenoxy)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 370.67 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-2-(4-chlorophenoxy)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63552735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).