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

C15H14BrClFNO — CID 43311401

IUPAC(5-bromo-2-ethoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine
SMILESCCOc1ccc(Br)cc1C(N)c1ccc(Cl)cc1F
InChIInChI=1S/C15H14BrClFNO/c1-2-20-14-6-3-9(16)7-12(14)15(19)11-5-4-10(17)8-13(11)18/h3-8,15H,2,19H2,1H3
InChIKeyXCMLFCOOFZXYCV-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.69
Rot. Bonds4

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

(5-bromo-2-ethoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine (PubChem CID 43311401) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is (5-bromo-2-ethoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-ethoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine
PubChem CID43311401
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name(5-bromo-2-ethoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine
SMILESCCOc1ccc(Br)cc1C(N)c1ccc(Cl)cc1F
InChIInChI=1S/C15H14BrClFNO/c1-2-20-14-6-3-9(16)7-12(14)15(19)11-5-4-10(17)8-13(11)18/h3-8,15H,2,19H2,1H3
InChIKeyXCMLFCOOFZXYCV-UHFFFAOYSA-N
XLogP4.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-4-chloro-2-fluorobenzene
CID 63434698
1-(5-bromo-2-ethoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 43487331
4-bromo-1-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-2-fluorobenzene
CID 63434442
(5-bromo-2-ethoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 43311344
(2-bromo-4-chlorophenyl)-(5-bromo-2-ethoxyphenyl)methanol
CID 107991194
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
(2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol
CID 66515336
(R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride
CID 171206516
(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171226068
(5-bromo-2-ethoxyphenyl)-(2,4-difluorophenyl)methanol
CID 61083035
N-[1-(5-bromo-2-fluorophenyl)ethyl]-5-chloro-2-ethoxyaniline
CID 82963216
1-(5-bromo-2-ethoxyphenyl)-2-(3-chlorophenyl)ethanamine
CID 63507981

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-ethoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine?
The IUPAC name of (5-bromo-2-ethoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine (CID 43311401) is (5-bromo-2-ethoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine.
What is the SMILES notation for (5-bromo-2-ethoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine?
The canonical SMILES for (5-bromo-2-ethoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine is CCOc1ccc(Br)cc1C(N)c1ccc(Cl)cc1F.
What is the InChIKey of (5-bromo-2-ethoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine?
The InChIKey is XCMLFCOOFZXYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c1-2-20-14-6-3-9(16)7-12(14)15(19)11-5-4-10(17)8-13(11)18/h3-8,15H,2,19H2,1H3.
What are the key properties of (5-bromo-2-ethoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine?
(5-bromo-2-ethoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine has a molecular weight of 358.64 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-ethoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine is sourced from PubChem (CID 43311401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).