(3-bromo-5-fluorophenyl)-(4-ethoxyphenyl)methanamine

C15H15BrFNO — CID 43248327

IUPAC(3-bromo-5-fluorophenyl)-(4-ethoxyphenyl)methanamine
SMILESCCOc1ccc(C(N)c2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C15H15BrFNO/c1-2-19-14-5-3-10(4-6-14)15(18)11-7-12(16)9-13(17)8-11/h3-9,15H,2,18H2,1H3
InChIKeySCNTZVBXYCYQMQ-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.03
Rot. Bonds4

About (3-bromo-5-fluorophenyl)-(4-ethoxyphenyl)methanamine

(3-bromo-5-fluorophenyl)-(4-ethoxyphenyl)methanamine (PubChem CID 43248327) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-(4-ethoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-(4-ethoxyphenyl)methanamine
PubChem CID43248327
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name(3-bromo-5-fluorophenyl)-(4-ethoxyphenyl)methanamine
SMILESCCOc1ccc(C(N)c2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C15H15BrFNO/c1-2-19-14-5-3-10(4-6-14)15(18)11-7-12(16)9-13(17)8-11/h3-9,15H,2,18H2,1H3
InChIKeySCNTZVBXYCYQMQ-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301574
(3-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43248329
(4-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474116
(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239826
(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine
CID 66423670
(3-bromo-5-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289052
(4-ethoxyphenyl)-(5-fluoro-2-pyridinyl)methanamine
CID 79722742
(4-bromo-3-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 105022404
1-bromo-3-[bromo-(3-bromo-4-ethoxyphenyl)methyl]-5-fluorobenzene
CID 104661793
(4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine
CID 106848489
1-(3-bromo-5-fluorophenyl)-2-methylbutan-1-amine
CID 79446725
(3-ethoxyphenyl)-(3-fluorophenyl)methanamine
CID 60798040

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-(4-ethoxyphenyl)methanamine?
The IUPAC name of (3-bromo-5-fluorophenyl)-(4-ethoxyphenyl)methanamine (CID 43248327) is (3-bromo-5-fluorophenyl)-(4-ethoxyphenyl)methanamine.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-(4-ethoxyphenyl)methanamine?
The canonical SMILES for (3-bromo-5-fluorophenyl)-(4-ethoxyphenyl)methanamine is CCOc1ccc(C(N)c2cc(F)cc(Br)c2)cc1.
What is the InChIKey of (3-bromo-5-fluorophenyl)-(4-ethoxyphenyl)methanamine?
The InChIKey is SCNTZVBXYCYQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-2-19-14-5-3-10(4-6-14)15(18)11-7-12(16)9-13(17)8-11/h3-9,15H,2,18H2,1H3.
What are the key properties of (3-bromo-5-fluorophenyl)-(4-ethoxyphenyl)methanamine?
(3-bromo-5-fluorophenyl)-(4-ethoxyphenyl)methanamine has a molecular weight of 324.19 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-(4-ethoxyphenyl)methanamine is sourced from PubChem (CID 43248327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).