(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine

C14H11BrClF2N — CID 106764463

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2ccc(Br)c(Cl)c2F)c1F
InChIInChI=1S/C14H11BrClF2N/c1-7-3-2-4-8(12(7)17)14(19)9-5-6-10(15)11(16)13(9)18/h2-6,14H,19H2,1H3
InChIKeyXPJCRTDPDKHEMX-UHFFFAOYSA-N
MW346.60 g/mol
LogP4.74
Rot. Bonds2

About (4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine

(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine (PubChem CID 106764463) has the molecular formula C14H11BrClF2N and a molecular weight of 346.60 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
PubChem CID106764463
Molecular FormulaC14H11BrClF2N
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2ccc(Br)c(Cl)c2F)c1F
InChIInChI=1S/C14H11BrClF2N/c1-7-3-2-4-8(12(7)17)14(19)9-5-6-10(15)11(16)13(9)18/h2-6,14H,19H2,1H3
InChIKeyXPJCRTDPDKHEMX-UHFFFAOYSA-N
XLogP4.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.60
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine
CID 106648243
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methyl]hydrazine
CID 114024336
1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 106762319
(3-bromo-2-fluorophenyl)-(4-chloro-2-methylphenyl)methanamine
CID 114028370
(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985569
(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 114022238
[(4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methyl]hydrazine
CID 106765567
(3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513399
1-benzofuran-2-yl-(4-bromo-3-chloro-2-fluorophenyl)methanamine
CID 106762492
(2-bromo-4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477237
(3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine
CID 64713808
(3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine
CID 106648113

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine (CID 106764463) is (4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine is Cc1cccc(C(N)c2ccc(Br)c(Cl)c2F)c1F.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine?
The InChIKey is XPJCRTDPDKHEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2N/c1-7-3-2-4-8(12(7)17)14(19)9-5-6-10(15)11(16)13(9)18/h2-6,14H,19H2,1H3.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine?
(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine has a molecular weight of 346.60 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 106764463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).