(3-bromo-4-ethoxyphenyl)-(2-bromo-5-fluorophenyl)methanamine

C15H14Br2FNO — CID 104657309

IUPAC(3-bromo-4-ethoxyphenyl)-(2-bromo-5-fluorophenyl)methanamine
SMILESCCOc1ccc(C(N)c2cc(F)ccc2Br)cc1Br
InChIInChI=1S/C15H14Br2FNO/c1-2-20-14-6-3-9(7-13(14)17)15(19)11-8-10(18)4-5-12(11)16/h3-8,15H,2,19H2,1H3
InChIKeyIZCRYYBVKDRHIO-UHFFFAOYSA-N
MW403.09 g/mol
LogP4.80
Rot. Bonds4

About (3-bromo-4-ethoxyphenyl)-(2-bromo-5-fluorophenyl)methanamine

(3-bromo-4-ethoxyphenyl)-(2-bromo-5-fluorophenyl)methanamine (PubChem CID 104657309) has the molecular formula C15H14Br2FNO and a molecular weight of 403.09 g/mol. Its IUPAC name is (3-bromo-4-ethoxyphenyl)-(2-bromo-5-fluorophenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-ethoxyphenyl)-(2-bromo-5-fluorophenyl)methanamine
PubChem CID104657309
Molecular FormulaC15H14Br2FNO
Molecular Weight403.09 g/mol
Exact Mass400.94
IUPAC Name(3-bromo-4-ethoxyphenyl)-(2-bromo-5-fluorophenyl)methanamine
SMILESCCOc1ccc(C(N)c2cc(F)ccc2Br)cc1Br
InChIInChI=1S/C15H14Br2FNO/c1-2-20-14-6-3-9(7-13(14)17)15(19)11-8-10(18)4-5-12(11)16/h3-8,15H,2,19H2,1H3
InChIKeyIZCRYYBVKDRHIO-UHFFFAOYSA-N
XLogP4.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.09
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-ethoxyphenyl)-(2,4-difluorophenyl)methanamine
CID 104657273
1-(3-bromo-4-ethoxyphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 104657340
2-bromo-4-[chloro-(4-fluorophenyl)methyl]-1-ethoxybenzene
CID 104661595
(3-bromo-4-ethoxyphenyl)-(5-chlorofuran-2-yl)methanamine
CID 106684609
1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 104657289
(2-bromo-5-fluorophenyl)-(4-butylphenyl)methanamine
CID 43096393
1-bromo-3-[bromo-(3-bromo-4-ethoxyphenyl)methyl]-5-fluorobenzene
CID 104661793
1-(3-bromo-4-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 113438055
2-bromo-4-(1-bromoethyl)-1-ethoxybenzene
CID 104661738
1-(3-bromo-4-ethoxyphenyl)-1-(4-bromo-3-fluorophenyl)-N-methylmethanamine
CID 104657518
2-bromo-4-(1-chloroethyl)-1-ethoxybenzene
CID 104661534
2-bromo-4-[1-bromo-2-(3-fluorophenyl)ethyl]-1-ethoxybenzene
CID 104661676

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-ethoxyphenyl)-(2-bromo-5-fluorophenyl)methanamine?
The IUPAC name of (3-bromo-4-ethoxyphenyl)-(2-bromo-5-fluorophenyl)methanamine (CID 104657309) is (3-bromo-4-ethoxyphenyl)-(2-bromo-5-fluorophenyl)methanamine.
What is the SMILES notation for (3-bromo-4-ethoxyphenyl)-(2-bromo-5-fluorophenyl)methanamine?
The canonical SMILES for (3-bromo-4-ethoxyphenyl)-(2-bromo-5-fluorophenyl)methanamine is CCOc1ccc(C(N)c2cc(F)ccc2Br)cc1Br.
What is the InChIKey of (3-bromo-4-ethoxyphenyl)-(2-bromo-5-fluorophenyl)methanamine?
The InChIKey is IZCRYYBVKDRHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FNO/c1-2-20-14-6-3-9(7-13(14)17)15(19)11-8-10(18)4-5-12(11)16/h3-8,15H,2,19H2,1H3.
What are the key properties of (3-bromo-4-ethoxyphenyl)-(2-bromo-5-fluorophenyl)methanamine?
(3-bromo-4-ethoxyphenyl)-(2-bromo-5-fluorophenyl)methanamine has a molecular weight of 403.09 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-ethoxyphenyl)-(2-bromo-5-fluorophenyl)methanamine is sourced from PubChem (CID 104657309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).