1-(2-bromo-4-phenylsulfanylphenyl)-N-methylmethanamine

C14H14BrNS — CID 114061063

IUPAC1-(2-bromo-4-phenylsulfanylphenyl)-N-methylmethanamine
SMILESCNCc1ccc(Sc2ccccc2)cc1Br
InChIInChI=1S/C14H14BrNS/c1-16-10-11-7-8-13(9-14(11)15)17-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKeySOCHRRDRDJTQHC-UHFFFAOYSA-N
MW308.24 g/mol
LogP4.32
Rot. Bonds4

About 1-(2-bromo-4-phenylsulfanylphenyl)-N-methylmethanamine

1-(2-bromo-4-phenylsulfanylphenyl)-N-methylmethanamine (PubChem CID 114061063) has the molecular formula C14H14BrNS and a molecular weight of 308.24 g/mol. Its IUPAC name is 1-(2-bromo-4-phenylsulfanylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-phenylsulfanylphenyl)-N-methylmethanamine
PubChem CID114061063
Molecular FormulaC14H14BrNS
Molecular Weight308.24 g/mol
Exact Mass307.00
IUPAC Name1-(2-bromo-4-phenylsulfanylphenyl)-N-methylmethanamine
SMILESCNCc1ccc(Sc2ccccc2)cc1Br
InChIInChI=1S/C14H14BrNS/c1-16-10-11-7-8-13(9-14(11)15)17-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKeySOCHRRDRDJTQHC-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-bromo-4-(3-fluorophenyl)sulfanylphenyl]-N-methylmethanamine
CID 114061115
N-[(2-bromo-4-phenylsulfanylphenyl)methyl]ethanamine
CID 114061062
1-(2-chloro-4-phenylsulfanylphenyl)-N-methylmethanamine
CID 114064942
1-(4-bromo-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 63805212
1-[2-bromo-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 114061124
1-(4-chloro-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 114863888
2-bromo-4-(4-bromophenyl)sulfanyl-1-ethylbenzene
CID 91877676
1-(5-fluoro-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 63807135
1-(2-bromo-4-phenylsulfanylphenyl)ethanone
CID 66885963
N-methyl-1-(2-phenylsulfanylquinolin-3-yl)methanamine
CID 63807134
1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylphenyl]-N-methylmethanamine
CID 63807375
1,3-bis[(3-phenylsulfanylphenyl)sulfanyl]benzene
CID 21413042

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-phenylsulfanylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-4-phenylsulfanylphenyl)-N-methylmethanamine (CID 114061063) is 1-(2-bromo-4-phenylsulfanylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-4-phenylsulfanylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-4-phenylsulfanylphenyl)-N-methylmethanamine is CNCc1ccc(Sc2ccccc2)cc1Br.
What is the InChIKey of 1-(2-bromo-4-phenylsulfanylphenyl)-N-methylmethanamine?
The InChIKey is SOCHRRDRDJTQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNS/c1-16-10-11-7-8-13(9-14(11)15)17-12-5-3-2-4-6-12/h2-9,16H,10H2,1H3.
What are the key properties of 1-(2-bromo-4-phenylsulfanylphenyl)-N-methylmethanamine?
1-(2-bromo-4-phenylsulfanylphenyl)-N-methylmethanamine has a molecular weight of 308.24 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-phenylsulfanylphenyl)-N-methylmethanamine is sourced from PubChem (CID 114061063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).