(3-bromo-2-chlorophenyl)-(2-ethoxyphenyl)methanamine

C15H15BrClNO — CID 115853550

IUPAC(3-bromo-2-chlorophenyl)-(2-ethoxyphenyl)methanamine
SMILESCCOc1ccccc1C(N)c1cccc(Br)c1Cl
InChIInChI=1S/C15H15BrClNO/c1-2-19-13-9-4-3-6-10(13)15(18)11-7-5-8-12(16)14(11)17/h3-9,15H,2,18H2,1H3
InChIKeyBFCYGVBKUFRWJZ-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.55
Rot. Bonds4

About (3-bromo-2-chlorophenyl)-(2-ethoxyphenyl)methanamine

(3-bromo-2-chlorophenyl)-(2-ethoxyphenyl)methanamine (PubChem CID 115853550) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(2-ethoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(2-ethoxyphenyl)methanamine
PubChem CID115853550
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name(3-bromo-2-chlorophenyl)-(2-ethoxyphenyl)methanamine
SMILESCCOc1ccccc1C(N)c1cccc(Br)c1Cl
InChIInChI=1S/C15H15BrClNO/c1-2-19-13-9-4-3-6-10(13)15(18)11-7-5-8-12(16)14(11)17/h3-9,15H,2,18H2,1H3
InChIKeyBFCYGVBKUFRWJZ-UHFFFAOYSA-N
XLogP4.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-chlorophenyl)-2-ethoxyethanamine
CID 105007829
(2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine
CID 115853781
(2,5-dibromothiophen-3-yl)-(2-ethoxyphenyl)methanamine
CID 43345009
(2-ethoxyphenyl)-(2-ethylphenyl)methanamine
CID 115853715
(2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine
CID 115853757
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine
CID 81379133
(1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine
CID 131128367
(1R)-1-(3-bromo-2-chlorophenyl)ethanamine
CID 121347621
(2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine
CID 43197136
2,6-dibromo-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 107596896
(2,4-difluorophenyl)-(2-ethoxyphenyl)methanamine
CID 43197762
[(3-bromo-2-chlorophenyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105285757

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-(2-ethoxyphenyl)methanamine?
The IUPAC name of (3-bromo-2-chlorophenyl)-(2-ethoxyphenyl)methanamine (CID 115853550) is (3-bromo-2-chlorophenyl)-(2-ethoxyphenyl)methanamine.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(2-ethoxyphenyl)methanamine?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(2-ethoxyphenyl)methanamine is CCOc1ccccc1C(N)c1cccc(Br)c1Cl.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(2-ethoxyphenyl)methanamine?
The InChIKey is BFCYGVBKUFRWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-2-19-13-9-4-3-6-10(13)15(18)11-7-5-8-12(16)14(11)17/h3-9,15H,2,18H2,1H3.
What are the key properties of (3-bromo-2-chlorophenyl)-(2-ethoxyphenyl)methanamine?
(3-bromo-2-chlorophenyl)-(2-ethoxyphenyl)methanamine has a molecular weight of 340.65 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-chlorophenyl)-(2-ethoxyphenyl)methanamine is sourced from PubChem (CID 115853550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).