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

C16H17BrFNO — CID 114558922

IUPACN-[(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1)c1c(F)cccc1Br
InChIInChI=1S/C16H17BrFNO/c1-3-19-16(11-7-9-12(20-2)10-8-11)15-13(17)5-4-6-14(15)18/h4-10,16,19H,3H2,1-2H3
InChIKeyPUYPYJCMZXQTFA-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.30
Rot. Bonds5

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

N-[(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine (PubChem CID 114558922) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is N-[(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
PubChem CID114558922
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC NameN-[(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1)c1c(F)cccc1Br
InChIInChI=1S/C16H17BrFNO/c1-3-19-16(11-7-9-12(20-2)10-8-11)15-13(17)5-4-6-14(15)18/h4-10,16,19H,3H2,1-2H3
InChIKeyPUYPYJCMZXQTFA-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-6-fluorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 114558955
N-[(2-bromo-6-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 114558976
N-[(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 114558952
N-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 65432269
N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
CID 114887292
(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methanol
CID 114560429
[(2,6-difluorophenyl)-(4-methoxyphenyl)methyl]hydrazine
CID 105190790
N-[(2-bromo-6-fluorophenyl)-(3-propylphenyl)methyl]ethanamine
CID 114887151
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106646204
N-[(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 114887267
N-[(2-bromo-6-fluorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 114558982
N-[(2-bromo-5-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489240

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine (CID 114558922) is N-[(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC)cc1)c1c(F)cccc1Br.
What is the InChIKey of N-[(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is PUYPYJCMZXQTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-3-19-16(11-7-9-12(20-2)10-8-11)15-13(17)5-4-6-14(15)18/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine?
N-[(2-bromo-6-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-6-fluorophenyl)-(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 114558922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).