2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine

C16H16BrF2NO — CID 115787231

IUPAC2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine
SMILESCNC(Cc1ccccc1Br)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H16BrF2NO/c1-20-15(10-12-4-2-3-5-14(12)17)11-6-8-13(9-7-11)21-16(18)19/h2-9,15-16,20H,10H2,1H3
InChIKeyBLNOEPWTPJQSJW-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.55
Rot. Bonds6

About 2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine

2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine (PubChem CID 115787231) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine
PubChem CID115787231
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine
SMILESCNC(Cc1ccccc1Br)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H16BrF2NO/c1-20-15(10-12-4-2-3-5-14(12)17)11-6-8-13(9-7-11)21-16(18)19/h2-9,15-16,20H,10H2,1H3
InChIKeyBLNOEPWTPJQSJW-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-N-methyl-1-phenylethanamine
CID 60820242
2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 60817908
1-[4-(difluoromethoxy)phenyl]-N-methyl-3-phenylpropan-1-amine
CID 115794124
1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine
CID 115786942
1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 43280106
2-(2-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115787208
2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 62829674
2-(2-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
CID 61077463
2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 115787083
1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015149
2-(2-bromophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 115786752
2-(2-bromophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
CID 65105091

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine (CID 115787231) is 2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine is CNC(Cc1ccccc1Br)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine?
The InChIKey is BLNOEPWTPJQSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c1-20-15(10-12-4-2-3-5-14(12)17)11-6-8-13(9-7-11)21-16(18)19/h2-9,15-16,20H,10H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine?
2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine has a molecular weight of 356.21 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 115787231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).