N-[(2-bromo-5-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine

C16H16BrClFNO — CID 43562053

IUPACN-[(2-bromo-5-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1Cl)c1cc(F)ccc1Br
InChIInChI=1S/C16H16BrClFNO/c1-3-20-16(13-8-10(19)4-7-14(13)17)12-6-5-11(21-2)9-15(12)18/h4-9,16,20H,3H2,1-2H3
InChIKeyZTXYMIJLDCWNTC-UHFFFAOYSA-N
MW372.67 g/mol
LogP4.95
Rot. Bonds5

About N-[(2-bromo-5-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine

N-[(2-bromo-5-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine (PubChem CID 43562053) has the molecular formula C16H16BrClFNO and a molecular weight of 372.67 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
PubChem CID43562053
Molecular FormulaC16H16BrClFNO
Molecular Weight372.67 g/mol
Exact Mass371.01
IUPAC NameN-[(2-bromo-5-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1Cl)c1cc(F)ccc1Br
InChIInChI=1S/C16H16BrClFNO/c1-3-20-16(13-8-10(19)4-7-14(13)17)12-6-5-11(21-2)9-15(12)18/h4-9,16,20H,3H2,1-2H3
InChIKeyZTXYMIJLDCWNTC-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-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562063
N-[(2-bromo-5-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489240
N-[(2-bromo-5-fluorophenyl)-(2-chloro-4,5-difluorophenyl)methyl]ethanamine
CID 107476519
N-[(2-bromo-6-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 114558976
N-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43562040
N-[(2-bromo-5-fluorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 105022583
N-[(2-bromo-5-methoxyphenyl)-(3-fluorophenyl)methyl]ethanamine
CID 105092648
N-[(3-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 107998668
N-[(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 62945872
N-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 105093219
N-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851922
N-[(5-bromothiophen-2-yl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562077

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine (CID 43562053) is N-[(2-bromo-5-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC)cc1Cl)c1cc(F)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine?
The InChIKey is ZTXYMIJLDCWNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFNO/c1-3-20-16(13-8-10(19)4-7-14(13)17)12-6-5-11(21-2)9-15(12)18/h4-9,16,20H,3H2,1-2H3.
What are the key properties of N-[(2-bromo-5-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine?
N-[(2-bromo-5-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-5-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43562053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).