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

C14H12BrClFN — CID 107096574

IUPAC(3-bromo-4-fluorophenyl)-(3-chloro-2-methylphenyl)methanamine
SMILESCc1c(Cl)cccc1C(N)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H12BrClFN/c1-8-10(3-2-4-12(8)16)14(18)9-5-6-13(17)11(15)7-9/h2-7,14H,18H2,1H3
InChIKeyUOTOFIQCOAXMKP-UHFFFAOYSA-N
MW328.61 g/mol
LogP4.60
Rot. Bonds2

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

(3-bromo-4-fluorophenyl)-(3-chloro-2-methylphenyl)methanamine (PubChem CID 107096574) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(3-chloro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(3-chloro-2-methylphenyl)methanamine
PubChem CID107096574
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC Name(3-bromo-4-fluorophenyl)-(3-chloro-2-methylphenyl)methanamine
SMILESCc1c(Cl)cccc1C(N)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H12BrClFN/c1-8-10(3-2-4-12(8)16)14(18)9-5-6-13(17)11(15)7-9/h2-7,14H,18H2,1H3
InChIKeyUOTOFIQCOAXMKP-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.61
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[bromo-(3-bromo-4-fluorophenyl)methyl]-3-chloro-2-methylbenzene
CID 107099304
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine
CID 79746837
(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanamine
CID 115566688
(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanamine
CID 79747674
(3-bromo-4-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine
CID 103220431
1-[(3-bromo-4-fluorophenyl)-chloromethyl]-3-chloro-2-fluorobenzene
CID 81263058
(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanamine
CID 107096610
(3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine
CID 79746589
(3-bromo-4-fluorophenyl)-(2-methylfuran-3-yl)methanamine
CID 79747168
(3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 107096474
(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-fluorophenyl)methanamine
CID 82875568
[(3-bromo-4-fluorophenyl)-(2-chlorophenyl)methyl]hydrazine
CID 105263983

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(3-chloro-2-methylphenyl)methanamine?
The IUPAC name of (3-bromo-4-fluorophenyl)-(3-chloro-2-methylphenyl)methanamine (CID 107096574) is (3-bromo-4-fluorophenyl)-(3-chloro-2-methylphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(3-chloro-2-methylphenyl)methanamine?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(3-chloro-2-methylphenyl)methanamine is Cc1c(Cl)cccc1C(N)c1ccc(F)c(Br)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(3-chloro-2-methylphenyl)methanamine?
The InChIKey is UOTOFIQCOAXMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c1-8-10(3-2-4-12(8)16)14(18)9-5-6-13(17)11(15)7-9/h2-7,14H,18H2,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(3-chloro-2-methylphenyl)methanamine?
(3-bromo-4-fluorophenyl)-(3-chloro-2-methylphenyl)methanamine has a molecular weight of 328.61 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(3-chloro-2-methylphenyl)methanamine is sourced from PubChem (CID 107096574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).