(4-bromo-2,6-difluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine

C15H13BrClF2N — CID 115483678

IUPAC(4-bromo-2,6-difluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
SMILESCc1cc(Cl)c(C(N)c2c(F)cc(Br)cc2F)cc1C
InChIInChI=1S/C15H13BrClF2N/c1-7-3-10(11(17)4-8(7)2)15(20)14-12(18)5-9(16)6-13(14)19/h3-6,15H,20H2,1-2H3
InChIKeyKFRMQBFIIAPFCJ-UHFFFAOYSA-N
MW360.63 g/mol
LogP5.05
Rot. Bonds2

About (4-bromo-2,6-difluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine

(4-bromo-2,6-difluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine (PubChem CID 115483678) has the molecular formula C15H13BrClF2N and a molecular weight of 360.63 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
PubChem CID115483678
Molecular FormulaC15H13BrClF2N
Molecular Weight360.63 g/mol
Exact Mass358.99
IUPAC Name(4-bromo-2,6-difluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
SMILESCc1cc(Cl)c(C(N)c2c(F)cc(Br)cc2F)cc1C
InChIInChI=1S/C15H13BrClF2N/c1-7-3-10(11(17)4-8(7)2)15(20)14-12(18)5-9(16)6-13(14)19/h3-6,15H,20H2,1-2H3
InChIKeyKFRMQBFIIAPFCJ-UHFFFAOYSA-N
XLogP5.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483655
(4-bromo-2,6-difluorophenyl)-(2,3-dimethylphenyl)methanamine
CID 115850579
(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 115483749
(3-bromophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 81045269
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106861126
(3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483674
(2-chloro-4,5-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
CID 115483715
(4-bromo-2,6-difluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046832
(2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 81045501
1-[(5-bromo-2-fluorophenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene
CID 115484618
(4-bromo-2,6-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 83044020
1-(4-bromo-2,6-difluorophenyl)ethanamine
CID 67403497

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine?
The IUPAC name of (4-bromo-2,6-difluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine (CID 115483678) is (4-bromo-2,6-difluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine is Cc1cc(Cl)c(C(N)c2c(F)cc(Br)cc2F)cc1C.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine?
The InChIKey is KFRMQBFIIAPFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF2N/c1-7-3-10(11(17)4-8(7)2)15(20)14-12(18)5-9(16)6-13(14)19/h3-6,15H,20H2,1-2H3.
What are the key properties of (4-bromo-2,6-difluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine?
(4-bromo-2,6-difluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine has a molecular weight of 360.63 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-difluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine is sourced from PubChem (CID 115483678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).