N-[(2-bromo-6-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine

C16H16BrClFNO — CID 114558976

IUPACN-[(2-bromo-6-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1Cl)c1c(F)cccc1Br
InChIInChI=1S/C16H16BrClFNO/c1-3-20-16(15-12(17)5-4-6-14(15)19)11-8-7-10(21-2)9-13(11)18/h4-9,16,20H,3H2,1-2H3
InChIKeyHAFNQCYVTATODD-UHFFFAOYSA-N
MW372.67 g/mol
LogP4.95
Rot. Bonds5

About N-[(2-bromo-6-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine

N-[(2-bromo-6-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine (PubChem CID 114558976) has the molecular formula C16H16BrClFNO and a molecular weight of 372.67 g/mol. Its IUPAC name is N-[(2-bromo-6-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-6-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
PubChem CID114558976
Molecular FormulaC16H16BrClFNO
Molecular Weight372.67 g/mol
Exact Mass371.01
IUPAC NameN-[(2-bromo-6-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1Cl)c1c(F)cccc1Br
InChIInChI=1S/C16H16BrClFNO/c1-3-20-16(15-12(17)5-4-6-14(15)19)11-8-7-10(21-2)9-13(11)18/h4-9,16,20H,3H2,1-2H3
InChIKeyHAFNQCYVTATODD-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.67
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 114558922
N-[(2-bromo-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562063
N-[(2-bromo-5-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562053
N-[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-6-fluorophenyl)methyl]ethanamine
CID 106763059
N-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 107998668
N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
CID 114887292
N-[(2-bromo-6-fluorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 114558982
1-(2-chloro-6-fluorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43561896
N-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63501905
N-[(5-bromothiophen-2-yl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562077
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106646204
N-[(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 114558955

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-6-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-6-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine (CID 114558976) is N-[(2-bromo-6-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-6-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-6-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC)cc1Cl)c1c(F)cccc1Br.
What is the InChIKey of N-[(2-bromo-6-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine?
The InChIKey is HAFNQCYVTATODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFNO/c1-3-20-16(15-12(17)5-4-6-14(15)19)11-8-7-10(21-2)9-13(11)18/h4-9,16,20H,3H2,1-2H3.
What are the key properties of N-[(2-bromo-6-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine?
N-[(2-bromo-6-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine has a molecular weight of 372.67 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-6-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 114558976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).