(3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine

C14H12BrClFNO — CID 43131063

IUPAC(3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(Cl)ccc2F)cc1Br
InChIInChI=1S/C14H12BrClFNO/c1-19-13-5-2-8(6-11(13)15)14(18)10-7-9(16)3-4-12(10)17/h2-7,14H,18H2,1H3
InChIKeyBFRLWAYAUPTVCM-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.30
Rot. Bonds3

About (3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine

(3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine (PubChem CID 43131063) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine
PubChem CID43131063
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name(3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(Cl)ccc2F)cc1Br
InChIInChI=1S/C14H12BrClFNO/c1-19-13-5-2-8(6-11(13)15)14(18)10-7-9(16)3-4-12(10)17/h2-7,14H,18H2,1H3
InChIKeyBFRLWAYAUPTVCM-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545787
(3-bromo-4-chlorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 115566906
(3-bromo-4-methoxyphenyl)-(3-chlorophenyl)methanamine
CID 43131111
(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 61032943
(2,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474122
(5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 82883361
(3-bromo-5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81288247
(4-bromo-5-chloro-2-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 105398505
[(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methyl]hydrazine
CID 105328437
(3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine
CID 43131038
(2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 107994143
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-chloro-2-fluoroaniline
CID 43785070

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine (CID 43131063) is (3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine is COc1ccc(C(N)c2cc(Cl)ccc2F)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine?
The InChIKey is BFRLWAYAUPTVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c1-19-13-5-2-8(6-11(13)15)14(18)10-7-9(16)3-4-12(10)17/h2-7,14H,18H2,1H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine?
(3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine has a molecular weight of 344.61 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine is sourced from PubChem (CID 43131063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).