1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine

C15H16BrNS — CID 79215702

IUPAC1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
SMILESCNC(c1ccc(Br)cc1)c1ccc(SC)cc1
InChIInChI=1S/C15H16BrNS/c1-17-15(11-3-7-13(16)8-4-11)12-5-9-14(18-2)10-6-12/h3-10,15,17H,1-2H3
InChIKeyIVPKYPIJIYJPEA-UHFFFAOYSA-N
MW322.27 g/mol
LogP4.48
Rot. Bonds4

About 1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine

1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine (PubChem CID 79215702) has the molecular formula C15H16BrNS and a molecular weight of 322.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
PubChem CID79215702
Molecular FormulaC15H16BrNS
Molecular Weight322.27 g/mol
Exact Mass321.02
IUPAC Name1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
SMILESCNC(c1ccc(Br)cc1)c1ccc(SC)cc1
InChIInChI=1S/C15H16BrNS/c1-17-15(11-3-7-13(16)8-4-11)12-5-9-14(18-2)10-6-12/h3-10,15,17H,1-2H3
InChIKeyIVPKYPIJIYJPEA-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline
CID 116952045
1-bromo-4-methylsulfanyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 76972933
1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481044
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 81355164
(4-bromophenyl)-(4-methylsulfanylphenyl)methanamine
CID 79214742
(R)-(4-bromophenyl)-(4-methylsulfanylphenyl)methanol
CID 97056034
N-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine
CID 79212501
N-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine
CID 115790405
N-methyl-1-(4-methylsulfanylphenyl)-1-(5-methylthiophen-3-yl)methanamine
CID 104991576
1-(3,4-diethylphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 115482274
1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79704481
1-(4-bromophenyl)-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43482469

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of 1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine (CID 79215702) is 1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine is CNC(c1ccc(Br)cc1)c1ccc(SC)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine?
The InChIKey is IVPKYPIJIYJPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNS/c1-17-15(11-3-7-13(16)8-4-11)12-5-9-14(18-2)10-6-12/h3-10,15,17H,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine?
1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine has a molecular weight of 322.27 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 79215702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).