(3-bromo-4-chlorophenyl)-(2-bromo-4-ethoxyphenyl)methanamine

C15H14Br2ClNO — CID 107998834

IUPAC(3-bromo-4-chlorophenyl)-(2-bromo-4-ethoxyphenyl)methanamine
SMILESCCOc1ccc(C(N)c2ccc(Cl)c(Br)c2)c(Br)c1
InChIInChI=1S/C15H14Br2ClNO/c1-2-20-10-4-5-11(12(16)8-10)15(19)9-3-6-14(18)13(17)7-9/h3-8,15H,2,19H2,1H3
InChIKeyOYQHCQISIIIYST-UHFFFAOYSA-N
MW419.54 g/mol
LogP5.31
Rot. Bonds4

About (3-bromo-4-chlorophenyl)-(2-bromo-4-ethoxyphenyl)methanamine

(3-bromo-4-chlorophenyl)-(2-bromo-4-ethoxyphenyl)methanamine (PubChem CID 107998834) has the molecular formula C15H14Br2ClNO and a molecular weight of 419.54 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(2-bromo-4-ethoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(2-bromo-4-ethoxyphenyl)methanamine
PubChem CID107998834
Molecular FormulaC15H14Br2ClNO
Molecular Weight419.54 g/mol
Exact Mass416.91
IUPAC Name(3-bromo-4-chlorophenyl)-(2-bromo-4-ethoxyphenyl)methanamine
SMILESCCOc1ccc(C(N)c2ccc(Cl)c(Br)c2)c(Br)c1
InChIInChI=1S/C15H14Br2ClNO/c1-2-20-10-4-5-11(12(16)8-10)15(19)9-3-6-14(18)13(17)7-9/h3-8,15H,2,19H2,1H3
InChIKeyOYQHCQISIIIYST-UHFFFAOYSA-N
XLogP5.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.54
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-bromo-4-chlorophenyl)-(2-bromo-4-ethoxyphenyl)methanamine with MolForge

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Related Compounds

(2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine
CID 60788475
(3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine
CID 107998531
(3-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanamine
CID 107998871
(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
CID 107998899
(3-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanamine
CID 107998932
(3-bromo-4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 113337076
(3-bromo-4-chlorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 115566906
(2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 107994143
2-bromo-1-[bromo-(3-chloro-4-fluorophenyl)methyl]-4-ethoxybenzene
CID 82879565
1-(2-bromo-4-ethoxyphenyl)-1-(3-chloro-4-iodophenyl)-N-methylmethanamine
CID 103220460
(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107998788
(3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 107998536

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(2-bromo-4-ethoxyphenyl)methanamine?
The IUPAC name of (3-bromo-4-chlorophenyl)-(2-bromo-4-ethoxyphenyl)methanamine (CID 107998834) is (3-bromo-4-chlorophenyl)-(2-bromo-4-ethoxyphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(2-bromo-4-ethoxyphenyl)methanamine?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(2-bromo-4-ethoxyphenyl)methanamine is CCOc1ccc(C(N)c2ccc(Cl)c(Br)c2)c(Br)c1.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(2-bromo-4-ethoxyphenyl)methanamine?
The InChIKey is OYQHCQISIIIYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2ClNO/c1-2-20-10-4-5-11(12(16)8-10)15(19)9-3-6-14(18)13(17)7-9/h3-8,15H,2,19H2,1H3.
What are the key properties of (3-bromo-4-chlorophenyl)-(2-bromo-4-ethoxyphenyl)methanamine?
(3-bromo-4-chlorophenyl)-(2-bromo-4-ethoxyphenyl)methanamine has a molecular weight of 419.54 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(2-bromo-4-ethoxyphenyl)methanamine is sourced from PubChem (CID 107998834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).