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1-[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine

C16H16BrClFNO — CID 115961108

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cc(C)c1OCc1ccc(F)cc1Cl
InChIInChI=1S/C16H16BrClFNO/c1-10-5-13(17)6-12(8-20-2)16(10)21-9-11-3-4-14(19)7-15(11)18/h3-7,20H,8-9H2,1-2H3
InChIKeyFOQJZAQLKOLGGA-UHFFFAOYSA-N
MW372.67 g/mol
LogP4.85
Rot. Bonds5

About 1-[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine

1-[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine (PubChem CID 115961108) has the molecular formula C16H16BrClFNO and a molecular weight of 372.67 g/mol. Its IUPAC name is 1-[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
PubChem CID115961108
Molecular FormulaC16H16BrClFNO
Molecular Weight372.67 g/mol
Exact Mass371.01
IUPAC Name1-[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cc(C)c1OCc1ccc(F)cc1Cl
InChIInChI=1S/C16H16BrClFNO/c1-10-5-13(17)6-12(8-20-2)16(10)21-9-11-3-4-14(19)7-15(11)18/h3-7,20H,8-9H2,1-2H3
InChIKeyFOQJZAQLKOLGGA-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.67
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine (CID 115961108) is 1-[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine is CNCc1cc(Br)cc(C)c1OCc1ccc(F)cc1Cl.
What is the InChIKey of 1-[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine?
The InChIKey is FOQJZAQLKOLGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFNO/c1-10-5-13(17)6-12(8-20-2)16(10)21-9-11-3-4-14(19)7-15(11)18/h3-7,20H,8-9H2,1-2H3.
What are the key properties of 1-[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine?
1-[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine has a molecular weight of 372.67 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 115961108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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