N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine

C16H16BrF2NO — CID 60946076

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine
SMILESCOc1ccc(Br)cc1CNC(C)c1c(F)cccc1F
InChIInChI=1S/C16H16BrF2NO/c1-10(16-13(18)4-3-5-14(16)19)20-9-11-8-12(17)6-7-15(11)21-2/h3-8,10,20H,9H2,1-2H3
InChIKeyIHRMCOAIBRRYKO-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.59
Rot. Bonds5

About N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine

N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine (PubChem CID 60946076) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine
PubChem CID60946076
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine
SMILESCOc1ccc(Br)cc1CNC(C)c1c(F)cccc1F
InChIInChI=1S/C16H16BrF2NO/c1-10(16-13(18)4-3-5-14(16)19)20-9-11-8-12(17)6-7-15(11)21-2/h3-8,10,20H,9H2,1-2H3
InChIKeyIHRMCOAIBRRYKO-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43217110
N-[(3-bromophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655771
(1S)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349676
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 60945297
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 43217091
N-[(5-bromo-2-fluorophenyl)methyl]-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 43230890
2-[(5-bromo-2-methoxyphenyl)methylamino]propan-1-ol
CID 43499460
N-[(5-bromo-2-methoxyphenyl)methyl]-4-methylpentan-2-amine
CID 43371768
(1S)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 78950918
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225422
N-[(5-bromo-2-methoxyphenyl)methyl]-5-methylhexan-2-amine
CID 43087547
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 60936188

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine (CID 60946076) is N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine is COc1ccc(Br)cc1CNC(C)c1c(F)cccc1F.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine?
The InChIKey is IHRMCOAIBRRYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c1-10(16-13(18)4-3-5-14(16)19)20-9-11-8-12(17)6-7-15(11)21-2/h3-8,10,20H,9H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine?
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine has a molecular weight of 356.21 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine is sourced from PubChem (CID 60946076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).