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

C16H17BrFNO — CID 43489240

IUPACN-[(2-bromo-5-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1)c1cc(F)ccc1Br
InChIInChI=1S/C16H17BrFNO/c1-3-19-16(11-4-7-13(20-2)8-5-11)14-10-12(18)6-9-15(14)17/h4-10,16,19H,3H2,1-2H3
InChIKeySHLBENYBEZUBCK-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.30
Rot. Bonds5

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

N-[(2-bromo-5-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine (PubChem CID 43489240) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
PubChem CID43489240
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC NameN-[(2-bromo-5-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1)c1cc(F)ccc1Br
InChIInChI=1S/C16H17BrFNO/c1-3-19-16(11-4-7-13(20-2)8-5-11)14-10-12(18)6-9-15(14)17/h4-10,16,19H,3H2,1-2H3
InChIKeySHLBENYBEZUBCK-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-5-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562053
N-[(2-bromo-5-methoxyphenyl)-(3-fluorophenyl)methyl]ethanamine
CID 105092648
N-[(3,5-difluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489212
N-[(2-bromo-5-fluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 107562122
N-[(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302641
N-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851922
N-[(2-bromo-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562063
N-[(2-bromo-4-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 60787122
N-[(2-bromo-4-fluorophenyl)-(4-bromophenyl)methyl]ethanamine
CID 43488718
N-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 105093219
N-[(2-bromo-5-fluorophenyl)-(2-chloro-4,5-difluorophenyl)methyl]ethanamine
CID 107476519
N-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 105394636

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine (CID 43489240) is N-[(2-bromo-5-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC)cc1)c1cc(F)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is SHLBENYBEZUBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-3-19-16(11-4-7-13(20-2)8-5-11)14-10-12(18)6-9-15(14)17/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(2-bromo-5-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine?
N-[(2-bromo-5-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 338.22 g/mol, XLogP of 4.30, 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)-(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43489240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).