1-(2-bromo-5-methoxyphenyl)-3-(4-bromophenyl)sulfanylpropan-2-amine

C16H17Br2NOS — CID 66054706

IUPAC1-(2-bromo-5-methoxyphenyl)-3-(4-bromophenyl)sulfanylpropan-2-amine
SMILESCOc1ccc(Br)c(CC(N)CSc2ccc(Br)cc2)c1
InChIInChI=1S/C16H17Br2NOS/c1-20-14-4-7-16(18)11(9-14)8-13(19)10-21-15-5-2-12(17)3-6-15/h2-7,9,13H,8,10,19H2,1H3
InChIKeyXRWAAAFDYBEUON-UHFFFAOYSA-N
MW431.19 g/mol
LogP4.88
Rot. Bonds6

About 1-(2-bromo-5-methoxyphenyl)-3-(4-bromophenyl)sulfanylpropan-2-amine

1-(2-bromo-5-methoxyphenyl)-3-(4-bromophenyl)sulfanylpropan-2-amine (PubChem CID 66054706) has the molecular formula C16H17Br2NOS and a molecular weight of 431.19 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-3-(4-bromophenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-3-(4-bromophenyl)sulfanylpropan-2-amine
PubChem CID66054706
Molecular FormulaC16H17Br2NOS
Molecular Weight431.19 g/mol
Exact Mass428.94
IUPAC Name1-(2-bromo-5-methoxyphenyl)-3-(4-bromophenyl)sulfanylpropan-2-amine
SMILESCOc1ccc(Br)c(CC(N)CSc2ccc(Br)cc2)c1
InChIInChI=1S/C16H17Br2NOS/c1-20-14-4-7-16(18)11(9-14)8-13(19)10-21-15-5-2-12(17)3-6-15/h2-7,9,13H,8,10,19H2,1H3
InChIKeyXRWAAAFDYBEUON-UHFFFAOYSA-N
XLogP4.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.19
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methoxyphenyl)pentan-2-amine
CID 65325502
3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine
CID 79437673
2-(4-bromophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine
CID 66054705
2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine
CID 115862312
3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propanoic acid
CID 79430808
2-(2-bromo-5-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 65325066
1-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 66056883
1-(4-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine
CID 66057272
1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
CID 66142881
1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine
CID 115862330
3-(2-bromo-5-methoxyphenyl)-1,1-diethoxypropan-2-amine
CID 79495380
1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine
CID 115862408

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-(4-bromophenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-(4-bromophenyl)sulfanylpropan-2-amine (CID 66054706) is 1-(2-bromo-5-methoxyphenyl)-3-(4-bromophenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-3-(4-bromophenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-3-(4-bromophenyl)sulfanylpropan-2-amine is COc1ccc(Br)c(CC(N)CSc2ccc(Br)cc2)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-3-(4-bromophenyl)sulfanylpropan-2-amine?
The InChIKey is XRWAAAFDYBEUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NOS/c1-20-14-4-7-16(18)11(9-14)8-13(19)10-21-15-5-2-12(17)3-6-15/h2-7,9,13H,8,10,19H2,1H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-3-(4-bromophenyl)sulfanylpropan-2-amine?
1-(2-bromo-5-methoxyphenyl)-3-(4-bromophenyl)sulfanylpropan-2-amine has a molecular weight of 431.19 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-3-(4-bromophenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 66054706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).