2-(4-bromophenoxy)ethanamine;2-(3-bromophenyl)sulfanylethanamine

C16H20Br2N2OS — CID 70205457

IUPAC2-(4-bromophenoxy)ethanamine;2-(3-bromophenyl)sulfanylethanamine
SMILESNCCOc1ccc(Br)cc1.NCCSc1cccc(Br)c1
InChIInChI=1S/C8H10BrNO.C8H10BrNS/c9-7-1-3-8(4-2-7)11-6-5-10;9-7-2-1-3-8(6-7)11-5-4-10/h1-4H,5-6,10H2;1-3,6H,4-5,10H2
InChIKeyVRGGPBCDKNZGNC-UHFFFAOYSA-N
MW448.22 g/mol
LogP4.29
Rot. Bonds6

About 2-(4-bromophenoxy)ethanamine;2-(3-bromophenyl)sulfanylethanamine

2-(4-bromophenoxy)ethanamine;2-(3-bromophenyl)sulfanylethanamine (PubChem CID 70205457) has the molecular formula C16H20Br2N2OS and a molecular weight of 448.22 g/mol. Its IUPAC name is 2-(4-bromophenoxy)ethanamine;2-(3-bromophenyl)sulfanylethanamine.

Molecular Properties

Compound Name2-(4-bromophenoxy)ethanamine;2-(3-bromophenyl)sulfanylethanamine
PubChem CID70205457
Molecular FormulaC16H20Br2N2OS
Molecular Weight448.22 g/mol
Exact Mass445.97
IUPAC Name2-(4-bromophenoxy)ethanamine;2-(3-bromophenyl)sulfanylethanamine
SMILESNCCOc1ccc(Br)cc1.NCCSc1cccc(Br)c1
InChIInChI=1S/C8H10BrNO.C8H10BrNS/c9-7-1-3-8(4-2-7)11-6-5-10;9-7-2-1-3-8(6-7)11-5-4-10/h1-4H,5-6,10H2;1-3,6H,4-5,10H2
InChIKeyVRGGPBCDKNZGNC-UHFFFAOYSA-N
XLogP4.29
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.22
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[3-(3-bromophenyl)sulfanylpropoxy]phenyl]methanamine
CID 62804971
4-[2-(3-bromophenyl)sulfanylethoxy]benzonitrile
CID 55222834
3-[3-(3-bromophenyl)sulfanylpropoxy]benzonitrile
CID 63539105
[2-[2-(3-bromophenyl)sulfanylethoxy]phenyl]methanamine
CID 55119672
2-(3-bromophenyl)sulfanyl-1-(4-propoxyphenyl)ethanol
CID 66159989
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
2-(2-aminoethoxy)-5-bromophenol
CID 84695267
bromobenzene;1-bromo-3-butylsulfanylbenzene
CID 158800951
2-[2-(3-bromophenoxy)ethylsulfanyl]naphthalene
CID 60623877
1-bromo-3-[1-bromo-4-(4-bromophenoxy)butan-2-yl]benzene
CID 79430050
2-(3-bromophenyl)-4-phenoxybutan-1-amine
CID 79442992

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)ethanamine;2-(3-bromophenyl)sulfanylethanamine?
The IUPAC name of 2-(4-bromophenoxy)ethanamine;2-(3-bromophenyl)sulfanylethanamine (CID 70205457) is 2-(4-bromophenoxy)ethanamine;2-(3-bromophenyl)sulfanylethanamine.
What is the SMILES notation for 2-(4-bromophenoxy)ethanamine;2-(3-bromophenyl)sulfanylethanamine?
The canonical SMILES for 2-(4-bromophenoxy)ethanamine;2-(3-bromophenyl)sulfanylethanamine is NCCOc1ccc(Br)cc1.NCCSc1cccc(Br)c1.
What is the InChIKey of 2-(4-bromophenoxy)ethanamine;2-(3-bromophenyl)sulfanylethanamine?
The InChIKey is VRGGPBCDKNZGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO.C8H10BrNS/c9-7-1-3-8(4-2-7)11-6-5-10;9-7-2-1-3-8(6-7)11-5-4-10/h1-4H,5-6,10H2;1-3,6H,4-5,10H2.
What are the key properties of 2-(4-bromophenoxy)ethanamine;2-(3-bromophenyl)sulfanylethanamine?
2-(4-bromophenoxy)ethanamine;2-(3-bromophenyl)sulfanylethanamine has a molecular weight of 448.22 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)ethanamine;2-(3-bromophenyl)sulfanylethanamine is sourced from PubChem (CID 70205457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).