1-(3-bromo-5-chlorophenyl)-1-(4-bromo-2,5-difluorophenyl)-N-methylmethanamine

C14H10Br2ClF2N — CID 107950619

IUPAC1-(3-bromo-5-chlorophenyl)-1-(4-bromo-2,5-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)cc(Br)c1)c1cc(F)c(Br)cc1F
InChIInChI=1S/C14H10Br2ClF2N/c1-20-14(7-2-8(15)4-9(17)3-7)10-5-13(19)11(16)6-12(10)18/h2-6,14,20H,1H3
InChIKeyACUZRQJQKRIZMX-UHFFFAOYSA-N
MW425.50 g/mol
LogP5.45
Rot. Bonds3

About 1-(3-bromo-5-chlorophenyl)-1-(4-bromo-2,5-difluorophenyl)-N-methylmethanamine

1-(3-bromo-5-chlorophenyl)-1-(4-bromo-2,5-difluorophenyl)-N-methylmethanamine (PubChem CID 107950619) has the molecular formula C14H10Br2ClF2N and a molecular weight of 425.50 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-1-(4-bromo-2,5-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-1-(4-bromo-2,5-difluorophenyl)-N-methylmethanamine
PubChem CID107950619
Molecular FormulaC14H10Br2ClF2N
Molecular Weight425.50 g/mol
Exact Mass422.88
IUPAC Name1-(3-bromo-5-chlorophenyl)-1-(4-bromo-2,5-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)cc(Br)c1)c1cc(F)c(Br)cc1F
InChIInChI=1S/C14H10Br2ClF2N/c1-20-14(7-2-8(15)4-9(17)3-7)10-5-13(19)11(16)6-12(10)18/h2-6,14,20H,1H3
InChIKeyACUZRQJQKRIZMX-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.50
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 107951008
1-(4-bromo-5-chloro-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 105398833
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 107946026
1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 107946612
1-(3-bromo-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine
CID 107979866
1-(3-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 63502754
1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 107945193
1-(3-bromo-4-fluorophenyl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107950732
1-(2-bromo-4-chlorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 107987636
1-(3-bromo-5-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107944932
1-(3,5-dibromophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 114022874
[(3-bromo-5-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]hydrazine
CID 107948431

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-1-(4-bromo-2,5-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-1-(4-bromo-2,5-difluorophenyl)-N-methylmethanamine (CID 107950619) is 1-(3-bromo-5-chlorophenyl)-1-(4-bromo-2,5-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-1-(4-bromo-2,5-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-1-(4-bromo-2,5-difluorophenyl)-N-methylmethanamine is CNC(c1cc(Cl)cc(Br)c1)c1cc(F)c(Br)cc1F.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-1-(4-bromo-2,5-difluorophenyl)-N-methylmethanamine?
The InChIKey is ACUZRQJQKRIZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClF2N/c1-20-14(7-2-8(15)4-9(17)3-7)10-5-13(19)11(16)6-12(10)18/h2-6,14,20H,1H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-1-(4-bromo-2,5-difluorophenyl)-N-methylmethanamine?
1-(3-bromo-5-chlorophenyl)-1-(4-bromo-2,5-difluorophenyl)-N-methylmethanamine has a molecular weight of 425.50 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-1-(4-bromo-2,5-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 107950619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).