N-[(2-bromophenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine

C15H16BrNS — CID 61401469

IUPACN-[(2-bromophenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(CNCc2ccccc2Br)cc1
InChIInChI=1S/C15H16BrNS/c1-18-14-8-6-12(7-9-14)10-17-11-13-4-2-3-5-15(13)16/h2-9,17H,10-11H2,1H3
InChIKeyBVZVTZCPOBWXJV-UHFFFAOYSA-N
MW322.27 g/mol
LogP4.46
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine

N-[(2-bromophenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine (PubChem CID 61401469) has the molecular formula C15H16BrNS and a molecular weight of 322.27 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine
PubChem CID61401469
Molecular FormulaC15H16BrNS
Molecular Weight322.27 g/mol
Exact Mass321.02
IUPAC NameN-[(2-bromophenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(CNCc2ccccc2Br)cc1
InChIInChI=1S/C15H16BrNS/c1-18-14-8-6-12(7-9-14)10-17-11-13-4-2-3-5-15(13)16/h2-9,17H,10-11H2,1H3
InChIKeyBVZVTZCPOBWXJV-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 60753165
N-[(2-bromophenyl)methyl]-1-(4-iodophenyl)methanamine
CID 65476357
4-[[(2-bromophenyl)methylamino]methyl]-N,N-dimethylaniline
CID 28679649
2-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]acetic acid
CID 103244811
N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 60701425
1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine
CID 60584572
N-benzyl-2-(4-methylsulfanylphenyl)ethanamine
CID 102197359
N-[(2-bromophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 61402147
N-[(4-methylsulfanylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60699641
[3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]methanol
CID 103648640
N,N,2,2-tetramethyl-N'-[(4-methylsulfanylphenyl)methyl]propane-1,3-diamine
CID 28613557
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-(2-bromophenyl)methanamine
CID 61402039

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine (CID 61401469) is N-[(2-bromophenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine is CSc1ccc(CNCc2ccccc2Br)cc1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine?
The InChIKey is BVZVTZCPOBWXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNS/c1-18-14-8-6-12(7-9-14)10-17-11-13-4-2-3-5-15(13)16/h2-9,17H,10-11H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine?
N-[(2-bromophenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine has a molecular weight of 322.27 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 61401469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).