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

C10H14BrNS — CID 63805885

IUPAC1-(4-bromo-2-ethylsulfanylphenyl)-N-methylmethanamine
SMILESCCSc1cc(Br)ccc1CNC
InChIInChI=1S/C10H14BrNS/c1-3-13-10-6-9(11)5-4-8(10)7-12-2/h4-6,12H,3,7H2,1-2H3
InChIKeyMUXSMCPAOFEJTH-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.28
Rot. Bonds4

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

1-(4-bromo-2-ethylsulfanylphenyl)-N-methylmethanamine (PubChem CID 63805885) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is 1-(4-bromo-2-ethylsulfanylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-ethylsulfanylphenyl)-N-methylmethanamine
PubChem CID63805885
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name1-(4-bromo-2-ethylsulfanylphenyl)-N-methylmethanamine
SMILESCCSc1cc(Br)ccc1CNC
InChIInChI=1S/C10H14BrNS/c1-3-13-10-6-9(11)5-4-8(10)7-12-2/h4-6,12H,3,7H2,1-2H3
InChIKeyMUXSMCPAOFEJTH-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-pentylsulfanylphenyl)-N-methylmethanamine
CID 107761489
(4-bromo-2-ethylsulfanylphenyl)methanamine
CID 63805186
ethyl 2-[5-bromo-2-(methylaminomethyl)phenyl]sulfanylacetate
CID 63809447
1-[4-bromo-2-(3-methylbutan-2-ylsulfanyl)phenyl]-N-methylmethanamine
CID 107761626
1-(4-bromo-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 63805212
1-[4-bromo-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine
CID 63809493
1-[4-bromo-2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylmethanamine
CID 63809929
4-bromo-2-ethylsulfanyl-1-iodobenzene
CID 91875963
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
N-[(4-bromo-2-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine
CID 55240564
N-[(4-bromo-2-butylsulfanylphenyl)methyl]cyclopropanamine
CID 63809775
1-(4-bromo-2-pyrazin-2-ylsulfanylphenyl)-N-methylmethanamine
CID 63809878

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-ethylsulfanylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2-ethylsulfanylphenyl)-N-methylmethanamine (CID 63805885) is 1-(4-bromo-2-ethylsulfanylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-ethylsulfanylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2-ethylsulfanylphenyl)-N-methylmethanamine is CCSc1cc(Br)ccc1CNC.
What is the InChIKey of 1-(4-bromo-2-ethylsulfanylphenyl)-N-methylmethanamine?
The InChIKey is MUXSMCPAOFEJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c1-3-13-10-6-9(11)5-4-8(10)7-12-2/h4-6,12H,3,7H2,1-2H3.
What are the key properties of 1-(4-bromo-2-ethylsulfanylphenyl)-N-methylmethanamine?
1-(4-bromo-2-ethylsulfanylphenyl)-N-methylmethanamine has a molecular weight of 260.20 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-ethylsulfanylphenyl)-N-methylmethanamine is sourced from PubChem (CID 63805885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).