1-(2-bromo-3-fluorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine

C14H12BrClFN — CID 115811322

IUPAC1-(2-bromo-3-fluorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1)c1cccc(F)c1Br
InChIInChI=1S/C14H12BrClFN/c1-18-14(9-4-2-5-10(16)8-9)11-6-3-7-12(17)13(11)15/h2-8,14,18H,1H3
InChIKeyNBTOWUWMAUKSLM-UHFFFAOYSA-N
MW328.61 g/mol
LogP4.55
Rot. Bonds3

About 1-(2-bromo-3-fluorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine

1-(2-bromo-3-fluorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine (PubChem CID 115811322) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine
PubChem CID115811322
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC Name1-(2-bromo-3-fluorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1)c1cccc(F)c1Br
InChIInChI=1S/C14H12BrClFN/c1-18-14(9-4-2-5-10(16)8-9)11-6-3-7-12(17)13(11)15/h2-8,14,18H,1H3
InChIKeyNBTOWUWMAUKSLM-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.61
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-3-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018490
1-(3-bromo-2-chlorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 115811933
1-(2-bromo-3-fluorophenyl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 115801020
1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 63081255
1-(2-bromofuran-3-yl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 106857070
1-(2-bromo-6-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114886903
1-(4-chloronaphthalen-1-yl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 79591643
1-(2-chloro-4-methylphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 106857074
1-(4-chloro-2-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 105022622
1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55125063
1-(2-bromo-3-fluorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
CID 81499776
N-[(2-bromo-3-methylphenyl)-(3-chlorophenyl)methyl]ethanamine
CID 107984777

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine (CID 115811322) is 1-(2-bromo-3-fluorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine is CNC(c1cccc(Cl)c1)c1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine?
The InChIKey is NBTOWUWMAUKSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c1-18-14(9-4-2-5-10(16)8-9)11-6-3-7-12(17)13(11)15/h2-8,14,18H,1H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine?
1-(2-bromo-3-fluorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine has a molecular weight of 328.61 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 115811322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).