N-[(4-bromo-2-methoxyphenyl)-(4-chlorophenyl)methyl]ethanamine

C16H17BrClNO — CID 115368913

IUPACN-[(4-bromo-2-methoxyphenyl)-(4-chlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1ccc(Br)cc1OC
InChIInChI=1S/C16H17BrClNO/c1-3-19-16(11-4-7-13(18)8-5-11)14-9-6-12(17)10-15(14)20-2/h4-10,16,19H,3H2,1-2H3
InChIKeyZZTBKXMBEUFLJN-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.81
Rot. Bonds5

About N-[(4-bromo-2-methoxyphenyl)-(4-chlorophenyl)methyl]ethanamine

N-[(4-bromo-2-methoxyphenyl)-(4-chlorophenyl)methyl]ethanamine (PubChem CID 115368913) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is N-[(4-bromo-2-methoxyphenyl)-(4-chlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-methoxyphenyl)-(4-chlorophenyl)methyl]ethanamine
PubChem CID115368913
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC NameN-[(4-bromo-2-methoxyphenyl)-(4-chlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1ccc(Br)cc1OC
InChIInChI=1S/C16H17BrClNO/c1-3-19-16(11-4-7-13(18)8-5-11)14-9-6-12(17)10-15(14)20-2/h4-10,16,19H,3H2,1-2H3
InChIKeyZZTBKXMBEUFLJN-UHFFFAOYSA-N
XLogP4.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-fluorophenyl)-(4-bromo-2-methoxyphenyl)methyl]ethanamine
CID 115369013
N-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488692
4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-methoxybenzene
CID 113296148
N-[(2-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 107987395
N-[(4-bromo-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105016507
N-[(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine
CID 107998622
N-[(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine
CID 43487727
N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115828081
N-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43487907
N-[(4-bromo-2-methoxyphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 115368935
N-[(4-bromo-2-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115816130
N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43805282

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-methoxyphenyl)-(4-chlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-2-methoxyphenyl)-(4-chlorophenyl)methyl]ethanamine (CID 115368913) is N-[(4-bromo-2-methoxyphenyl)-(4-chlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-2-methoxyphenyl)-(4-chlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-2-methoxyphenyl)-(4-chlorophenyl)methyl]ethanamine is CCNC(c1ccc(Cl)cc1)c1ccc(Br)cc1OC.
What is the InChIKey of N-[(4-bromo-2-methoxyphenyl)-(4-chlorophenyl)methyl]ethanamine?
The InChIKey is ZZTBKXMBEUFLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-3-19-16(11-4-7-13(18)8-5-11)14-9-6-12(17)10-15(14)20-2/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(4-bromo-2-methoxyphenyl)-(4-chlorophenyl)methyl]ethanamine?
N-[(4-bromo-2-methoxyphenyl)-(4-chlorophenyl)methyl]ethanamine has a molecular weight of 354.68 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-methoxyphenyl)-(4-chlorophenyl)methyl]ethanamine is sourced from PubChem (CID 115368913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).