(2,5-dibromophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine

C14H11Br2Cl2NO — CID 114369246

IUPAC(2,5-dibromophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
SMILESCOc1cc(Cl)c(C(N)c2cc(Br)ccc2Br)cc1Cl
InChIInChI=1S/C14H11Br2Cl2NO/c1-20-13-6-11(17)9(5-12(13)18)14(19)8-4-7(15)2-3-10(8)16/h2-6,14H,19H2,1H3
InChIKeyDQULOKFZNLQUHN-UHFFFAOYSA-N
MW439.96 g/mol
LogP5.58
Rot. Bonds3

About (2,5-dibromophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine

(2,5-dibromophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine (PubChem CID 114369246) has the molecular formula C14H11Br2Cl2NO and a molecular weight of 439.96 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
PubChem CID114369246
Molecular FormulaC14H11Br2Cl2NO
Molecular Weight439.96 g/mol
Exact Mass436.86
IUPAC Name(2,5-dibromophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
SMILESCOc1cc(Cl)c(C(N)c2cc(Br)ccc2Br)cc1Cl
InChIInChI=1S/C14H11Br2Cl2NO/c1-20-13-6-11(17)9(5-12(13)18)14(19)8-4-7(15)2-3-10(8)16/h2-6,14H,19H2,1H3
InChIKeyDQULOKFZNLQUHN-UHFFFAOYSA-N
XLogP5.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.96
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
CID 114369248
(2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine
CID 114368828
(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
CID 107998899
(4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
CID 43330541
(2-chloro-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanol
CID 114374763
(2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 114369086
(2,5-dibromophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283090
(4-bromo-3-chlorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
CID 81291000
(5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 43149035
(4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43805331
(5-bromo-2-methoxyphenyl)-(3-chloro-2-methylphenyl)methanamine
CID 107096345
(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
CID 81110281

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine?
The IUPAC name of (2,5-dibromophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine (CID 114369246) is (2,5-dibromophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (2,5-dibromophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine?
The canonical SMILES for (2,5-dibromophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine is COc1cc(Cl)c(C(N)c2cc(Br)ccc2Br)cc1Cl.
What is the InChIKey of (2,5-dibromophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine?
The InChIKey is DQULOKFZNLQUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2Cl2NO/c1-20-13-6-11(17)9(5-12(13)18)14(19)8-4-7(15)2-3-10(8)16/h2-6,14H,19H2,1H3.
What are the key properties of (2,5-dibromophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine?
(2,5-dibromophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine has a molecular weight of 439.96 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 114369246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).