1-(2-bromo-6-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine

C14H11BrClF2N — CID 114886903

IUPAC1-(2-bromo-6-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1F)c1c(F)cccc1Br
InChIInChI=1S/C14H11BrClF2N/c1-19-14(9-6-5-8(16)7-12(9)18)13-10(15)3-2-4-11(13)17/h2-7,14,19H,1H3
InChIKeyOKMRJTOGTNTWIY-UHFFFAOYSA-N
MW346.60 g/mol
LogP4.69
Rot. Bonds3

About 1-(2-bromo-6-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine

1-(2-bromo-6-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine (PubChem CID 114886903) has the molecular formula C14H11BrClF2N and a molecular weight of 346.60 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
PubChem CID114886903
Molecular FormulaC14H11BrClF2N
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Name1-(2-bromo-6-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1F)c1c(F)cccc1Br
InChIInChI=1S/C14H11BrClF2N/c1-19-14(9-6-5-8(16)7-12(9)18)13-10(15)3-2-4-11(13)17/h2-7,14,19H,1H3
InChIKeyOKMRJTOGTNTWIY-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.60
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 114886653
1-(2-bromo-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 114887024
1-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114906262
1-(7-bromo-1-benzothiophen-3-yl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 81131706
N-[(2-bromo-6-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 114558967
1-(2-bromo-4-chlorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 107987368
1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 63081255
1-(2-bromo-4-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 60788480
1-(2-bromo-6-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 114887123
1-(3,5-dichlorophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 115859907
1-(2-bromo-4-chlorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 107987636
1-(2-bromo-6-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 114559095

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine (CID 114886903) is 1-(2-bromo-6-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine is CNC(c1ccc(Cl)cc1F)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine?
The InChIKey is OKMRJTOGTNTWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2N/c1-19-14(9-6-5-8(16)7-12(9)18)13-10(15)3-2-4-11(13)17/h2-7,14,19H,1H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine?
1-(2-bromo-6-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine has a molecular weight of 346.60 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 114886903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).