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

C15H15BrClNO — CID 43283476

IUPACN-[[4-(2-bromo-4-chlorophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C15H15BrClNO/c1-2-18-10-11-3-6-13(7-4-11)19-15-8-5-12(17)9-14(15)16/h3-9,18H,2,10H2,1H3
InChIKeyNITVFYWXYNGDOS-UHFFFAOYSA-N
MW340.65 g/mol
LogP5.00
Rot. Bonds5

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

N-[[4-(2-bromo-4-chlorophenoxy)phenyl]methyl]ethanamine (PubChem CID 43283476) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is N-[[4-(2-bromo-4-chlorophenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-bromo-4-chlorophenoxy)phenyl]methyl]ethanamine
PubChem CID43283476
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC NameN-[[4-(2-bromo-4-chlorophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C15H15BrClNO/c1-2-18-10-11-3-6-13(7-4-11)19-15-8-5-12(17)9-14(15)16/h3-9,18H,2,10H2,1H3
InChIKeyNITVFYWXYNGDOS-UHFFFAOYSA-N
XLogP5.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.65
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(2-bromo-4-chlorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406870
N-[[4-(2-bromo-4-chlorophenoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 63552010
2-bromo-4-chloro-1-[4-(chloromethyl)phenoxy]benzene
CID 28947286
N-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321494
N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]propan-1-amine
CID 43283286
N-[[3-(2-bromo-4-chlorophenoxy)-4-methylphenyl]methyl]propan-1-amine
CID 105406866
N-[[3-(2-bromo-4-chlorophenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 106533376
[4-[4-(ethylaminomethyl)-2-fluorophenoxy]phenyl]methanol
CID 61228377
N-[[3-chloro-4-(4-propylphenoxy)phenyl]methyl]ethanamine
CID 81151266
N-[[4-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine
CID 43283829
N-[[4-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250588
[3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol
CID 114062434

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-bromo-4-chlorophenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2-bromo-4-chlorophenoxy)phenyl]methyl]ethanamine (CID 43283476) is N-[[4-(2-bromo-4-chlorophenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-bromo-4-chlorophenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2-bromo-4-chlorophenoxy)phenyl]methyl]ethanamine is CCNCc1ccc(Oc2ccc(Cl)cc2Br)cc1.
What is the InChIKey of N-[[4-(2-bromo-4-chlorophenoxy)phenyl]methyl]ethanamine?
The InChIKey is NITVFYWXYNGDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-2-18-10-11-3-6-13(7-4-11)19-15-8-5-12(17)9-14(15)16/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[[4-(2-bromo-4-chlorophenoxy)phenyl]methyl]ethanamine?
N-[[4-(2-bromo-4-chlorophenoxy)phenyl]methyl]ethanamine has a molecular weight of 340.65 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-bromo-4-chlorophenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 43283476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).