(4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine

C14H13BrClNO — CID 43805138

IUPAC(4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C14H13BrClNO/c1-18-11-5-2-9(3-6-11)14(17)12-7-4-10(15)8-13(12)16/h2-8,14H,17H2,1H3
InChIKeyKZARSVRNRVSNHL-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.16
Rot. Bonds3

About (4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine

(4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine (PubChem CID 43805138) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine
PubChem CID43805138
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name(4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C14H13BrClNO/c1-18-11-5-2-9(3-6-11)14(17)12-7-4-10(15)8-13(12)16/h2-8,14H,17H2,1H3
InChIKeyKZARSVRNRVSNHL-UHFFFAOYSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine
CID 106856981
(4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine
CID 43805136
(4-bromophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561243
4-bromo-2-[bromo-(4-methoxyphenyl)methyl]-1-chlorobenzene
CID 63437208
(2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine
CID 60788475
(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine
CID 43805150
(3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 82875491
4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-chlorobenzene
CID 63542411
(3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 103220223
(4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43805331
(4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103435334
(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950477

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine?
The IUPAC name of (4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine (CID 43805138) is (4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine is COc1ccc(C(N)c2ccc(Br)cc2Cl)cc1.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine?
The InChIKey is KZARSVRNRVSNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c1-18-11-5-2-9(3-6-11)14(17)12-7-4-10(15)8-13(12)16/h2-8,14H,17H2,1H3.
What are the key properties of (4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine?
(4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine has a molecular weight of 326.62 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 43805138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).