N-[(3-bromo-4-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine

C16H16BrCl2NO — CID 43487810

IUPACN-[(3-bromo-4-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(Br)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H16BrCl2NO/c1-3-20-16(15-12(18)5-4-6-13(15)19)10-7-8-14(21-2)11(17)9-10/h4-9,16,20H,3H2,1-2H3
InChIKeyCFDDSWCJDZHCOS-UHFFFAOYSA-N
MW389.12 g/mol
LogP5.46
Rot. Bonds5

About N-[(3-bromo-4-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine

N-[(3-bromo-4-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine (PubChem CID 43487810) has the molecular formula C16H16BrCl2NO and a molecular weight of 389.12 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine
PubChem CID43487810
Molecular FormulaC16H16BrCl2NO
Molecular Weight389.12 g/mol
Exact Mass386.98
IUPAC NameN-[(3-bromo-4-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(Br)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H16BrCl2NO/c1-3-20-16(15-12(18)5-4-6-13(15)19)10-7-8-14(21-2)11(17)9-10/h4-9,16,20H,3H2,1-2H3
InChIKeyCFDDSWCJDZHCOS-UHFFFAOYSA-N
XLogP5.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.12
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-bromo-4-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine with MolForge

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Related Compounds

N-[(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine
CID 43487727
N-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 43487751
N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487806
N-[(3-bromo-4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]ethanamine
CID 79212535
N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 43492874
N-[(3-bromo-4-methoxyphenyl)-(2-bromo-3-methylphenyl)methyl]ethanamine
CID 107981905
N-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine
CID 79747189
N-[(5-chloro-2-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine
CID 104546028
N-[(3-bromo-4-methoxyphenyl)-(4-chlorophenyl)methyl]propan-1-amine
CID 43493876
N-[(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine
CID 107998622
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
N-[(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methyl]ethanamine
CID 104851189

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine (CID 43487810) is N-[(3-bromo-4-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine is CCNC(c1ccc(OC)c(Br)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine?
The InChIKey is CFDDSWCJDZHCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2NO/c1-3-20-16(15-12(18)5-4-6-13(15)19)10-7-8-14(21-2)11(17)9-10/h4-9,16,20H,3H2,1-2H3.
What are the key properties of N-[(3-bromo-4-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine?
N-[(3-bromo-4-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine has a molecular weight of 389.12 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 43487810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).