(2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine

C14H12BrCl2NO — CID 60788475

IUPAC(2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Cl)c(Cl)c2)c(Br)c1
InChIInChI=1S/C14H12BrCl2NO/c1-19-9-3-4-10(11(15)7-9)14(18)8-2-5-12(16)13(17)6-8/h2-7,14H,18H2,1H3
InChIKeySSXRFPAPYIAICC-UHFFFAOYSA-N
MW361.07 g/mol
LogP4.81
Rot. Bonds3

About (2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine

(2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine (PubChem CID 60788475) has the molecular formula C14H12BrCl2NO and a molecular weight of 361.07 g/mol. Its IUPAC name is (2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine
PubChem CID60788475
Molecular FormulaC14H12BrCl2NO
Molecular Weight361.07 g/mol
Exact Mass358.95
IUPAC Name(2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Cl)c(Cl)c2)c(Br)c1
InChIInChI=1S/C14H12BrCl2NO/c1-19-9-3-4-10(11(15)7-9)14(18)8-2-5-12(16)13(17)6-8/h2-7,14H,18H2,1H3
InChIKeySSXRFPAPYIAICC-UHFFFAOYSA-N
XLogP4.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.07
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-chlorophenyl)-(2-bromo-4-ethoxyphenyl)methanamine
CID 107998834
(2-bromo-4-methoxyphenyl)-phenylmethanamine
CID 60785941
(3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 103220223
(2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 107994143
(3-chloro-4-iodophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 103215224
1-(2-bromo-4-methoxyphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63502718
(2-bromo-4-methoxyphenyl)-(3-iodophenyl)methanamine
CID 54919573
(3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 82875491
(4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine
CID 43805138
(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950477
1-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438789
(2-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 60786954

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine?
The IUPAC name of (2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine (CID 60788475) is (2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine.
What is the SMILES notation for (2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine?
The canonical SMILES for (2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine is COc1ccc(C(N)c2ccc(Cl)c(Cl)c2)c(Br)c1.
What is the InChIKey of (2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine?
The InChIKey is SSXRFPAPYIAICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO/c1-19-9-3-4-10(11(15)7-9)14(18)8-2-5-12(16)13(17)6-8/h2-7,14H,18H2,1H3.
What are the key properties of (2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine?
(2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine has a molecular weight of 361.07 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine is sourced from PubChem (CID 60788475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).