(4-bromophenyl)-(4-methylsulfanylphenyl)methanamine

C14H14BrNS — CID 79214742

IUPAC(4-bromophenyl)-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(C(N)c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H14BrNS/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9,14H,16H2,1H3
InChIKeyKNMYODACUUCOPG-UHFFFAOYSA-N
MW308.24 g/mol
LogP4.22
Rot. Bonds3

About (4-bromophenyl)-(4-methylsulfanylphenyl)methanamine

(4-bromophenyl)-(4-methylsulfanylphenyl)methanamine (PubChem CID 79214742) has the molecular formula C14H14BrNS and a molecular weight of 308.24 g/mol. Its IUPAC name is (4-bromophenyl)-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromophenyl)-(4-methylsulfanylphenyl)methanamine
PubChem CID79214742
Molecular FormulaC14H14BrNS
Molecular Weight308.24 g/mol
Exact Mass307.00
IUPAC Name(4-bromophenyl)-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(C(N)c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H14BrNS/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9,14H,16H2,1H3
InChIKeyKNMYODACUUCOPG-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of (4-bromophenyl)-(4-methylsulfanylphenyl)methanamine (CID 79214742) is (4-bromophenyl)-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for (4-bromophenyl)-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for (4-bromophenyl)-(4-methylsulfanylphenyl)methanamine is CSc1ccc(C(N)c2ccc(Br)cc2)cc1.
What is the InChIKey of (4-bromophenyl)-(4-methylsulfanylphenyl)methanamine?
The InChIKey is KNMYODACUUCOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNS/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9,14H,16H2,1H3.
What are the key properties of (4-bromophenyl)-(4-methylsulfanylphenyl)methanamine?
(4-bromophenyl)-(4-methylsulfanylphenyl)methanamine has a molecular weight of 308.24 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 79214742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).