1-(4-bromo-5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine

C15H13BrClF2NO — CID 105398813

IUPAC1-(4-bromo-5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(F)c1)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C15H13BrClF2NO/c1-20-15(8-3-4-14(21-2)13(19)5-8)9-6-11(17)10(16)7-12(9)18/h3-7,15,20H,1-2H3
InChIKeyDJTBGKJOZRKXGW-UHFFFAOYSA-N
MW376.63 g/mol
LogP4.70
Rot. Bonds4

About 1-(4-bromo-5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine

1-(4-bromo-5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 105398813) has the molecular formula C15H13BrClF2NO and a molecular weight of 376.63 g/mol. Its IUPAC name is 1-(4-bromo-5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID105398813
Molecular FormulaC15H13BrClF2NO
Molecular Weight376.63 g/mol
Exact Mass374.98
IUPAC Name1-(4-bromo-5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(F)c1)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C15H13BrClF2NO/c1-20-15(8-3-4-14(21-2)13(19)5-8)9-6-11(17)10(16)7-12(9)18/h3-7,15,20H,1-2H3
InChIKeyDJTBGKJOZRKXGW-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 62919212
1-(4-bromo-5-chloro-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 105398833
1-(5-bromo-2-methoxyphenyl)-1-(4-chloro-3-fluorophenyl)-N-methylmethanamine
CID 107998570
1-(4-bromo-2-methylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43629830
1-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43480929
1-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43480979
1-(5-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)-N-methylmethanamine
CID 43479930
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 105399539
1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43479980
1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288273
1-(2,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43487689
1-(3-chloro-4-methoxyphenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 43480952

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine (CID 105398813) is 1-(4-bromo-5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc(OC)c(F)c1)c1cc(Cl)c(Br)cc1F.
What is the InChIKey of 1-(4-bromo-5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is DJTBGKJOZRKXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF2NO/c1-20-15(8-3-4-14(21-2)13(19)5-8)9-6-11(17)10(16)7-12(9)18/h3-7,15,20H,1-2H3.
What are the key properties of 1-(4-bromo-5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
1-(4-bromo-5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 376.63 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 105398813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).