1-(4-bromophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine

C14H12BrClFN — CID 43481047

IUPAC1-(4-bromophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1)c1cc(Cl)ccc1F
InChIInChI=1S/C14H12BrClFN/c1-18-14(9-2-4-10(15)5-3-9)12-8-11(16)6-7-13(12)17/h2-8,14,18H,1H3
InChIKeyFAQYIXZDKQQUNZ-UHFFFAOYSA-N
MW328.61 g/mol
LogP4.55
Rot. Bonds3

About 1-(4-bromophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine

1-(4-bromophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine (PubChem CID 43481047) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine
PubChem CID43481047
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC Name1-(4-bromophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1)c1cc(Cl)ccc1F
InChIInChI=1S/C14H12BrClFN/c1-18-14(9-2-4-10(15)5-3-9)12-8-11(16)6-7-13(12)17/h2-8,14,18H,1H3
InChIKeyFAQYIXZDKQQUNZ-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

Analyze 1-(4-bromophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine (CID 43481047) is 1-(4-bromophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine is CNC(c1ccc(Br)cc1)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(4-bromophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine?
The InChIKey is FAQYIXZDKQQUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c1-18-14(9-2-4-10(15)5-3-9)12-8-11(16)6-7-13(12)17/h2-8,14,18H,1H3.
What are the key properties of 1-(4-bromophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine?
1-(4-bromophenyl)-1-(5-chloro-2-fluorophenyl)-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-(4-bromophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 43481047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).