N-[(2-bromo-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine

C16H16BrClFNO — CID 81499377

IUPACN-[(2-bromo-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(Cl)c1)c1cccc(F)c1Br
InChIInChI=1S/C16H16BrClFNO/c1-3-20-16(11-5-4-6-13(19)15(11)17)10-7-8-14(21-2)12(18)9-10/h4-9,16,20H,3H2,1-2H3
InChIKeyFEAXBOWXLOLJGO-UHFFFAOYSA-N
MW372.67 g/mol
LogP4.95
Rot. Bonds5

About N-[(2-bromo-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine

N-[(2-bromo-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine (PubChem CID 81499377) has the molecular formula C16H16BrClFNO and a molecular weight of 372.67 g/mol. Its IUPAC name is N-[(2-bromo-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
PubChem CID81499377
Molecular FormulaC16H16BrClFNO
Molecular Weight372.67 g/mol
Exact Mass371.01
IUPAC NameN-[(2-bromo-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(Cl)c1)c1cccc(F)c1Br
InChIInChI=1S/C16H16BrClFNO/c1-3-20-16(11-5-4-6-13(19)15(11)17)10-7-8-14(21-2)12(18)9-10/h4-9,16,20H,3H2,1-2H3
InChIKeyFEAXBOWXLOLJGO-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-chloro-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 81454945
N-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 115786059
N-[(3-chloro-4-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 82872461
N-[(2-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 107987395
N-[(3-chloro-4-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82791876
N-[(4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82807477
N-[(3-bromo-4-methoxyphenyl)-(2-bromo-3-methylphenyl)methyl]ethanamine
CID 107981905
N-[(3,4-dichlorophenyl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine
CID 65433237
N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493633
1-(3-chloro-4-methoxyphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 62649514
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 79747190
1-(3-chloro-4-methoxyphenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 43480952

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine (CID 81499377) is N-[(2-bromo-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC)c(Cl)c1)c1cccc(F)c1Br.
What is the InChIKey of N-[(2-bromo-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine?
The InChIKey is FEAXBOWXLOLJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFNO/c1-3-20-16(11-5-4-6-13(19)15(11)17)10-7-8-14(21-2)12(18)9-10/h4-9,16,20H,3H2,1-2H3.
What are the key properties of N-[(2-bromo-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine?
N-[(2-bromo-3-fluorophenyl)-(3-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-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 81499377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).