2-[(2-bromo-4-methylphenyl)methylamino]-1-thiophen-3-ylethanol

C14H16BrNOS — CID 103845086

IUPAC2-[(2-bromo-4-methylphenyl)methylamino]-1-thiophen-3-ylethanol
SMILESCc1ccc(CNCC(O)c2ccsc2)c(Br)c1
InChIInChI=1S/C14H16BrNOS/c1-10-2-3-11(13(15)6-10)7-16-8-14(17)12-4-5-18-9-12/h2-6,9,14,16-17H,7-8H2,1H3
InChIKeyGXYLSZYYKBAGNJ-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.64
Rot. Bonds5

About 2-[(2-bromo-4-methylphenyl)methylamino]-1-thiophen-3-ylethanol

2-[(2-bromo-4-methylphenyl)methylamino]-1-thiophen-3-ylethanol (PubChem CID 103845086) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 2-[(2-bromo-4-methylphenyl)methylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(2-bromo-4-methylphenyl)methylamino]-1-thiophen-3-ylethanol
PubChem CID103845086
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name2-[(2-bromo-4-methylphenyl)methylamino]-1-thiophen-3-ylethanol
SMILESCc1ccc(CNCC(O)c2ccsc2)c(Br)c1
InChIInChI=1S/C14H16BrNOS/c1-10-2-3-11(13(15)6-10)7-16-8-14(17)12-4-5-18-9-12/h2-6,9,14,16-17H,7-8H2,1H3
InChIKeyGXYLSZYYKBAGNJ-UHFFFAOYSA-N
XLogP3.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]-4-methylphenol
CID 103685227
2-[(5-fluoro-2-methylphenyl)methylamino]-1-thiophen-3-ylethanol
CID 103943964
2-[(2-bromo-4-methylphenyl)methylamino]-1-cyclopropylethanol
CID 115556791
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
2-[(5-chloro-2-fluorophenyl)methylamino]-1-thiophen-3-ylethanol
CID 113334906
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 114188611
2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 106434384
2-[2-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]phenyl]acetic acid
CID 106435361
2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-thiophen-3-ylethanol
CID 106435304
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-1-thiophen-3-ylethanol
CID 103685180
2-[(6-methyl-3-pyridinyl)methylamino]-1-thiophen-3-ylethanol
CID 104755790
1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol
CID 106435290

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-methylphenyl)methylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(2-bromo-4-methylphenyl)methylamino]-1-thiophen-3-ylethanol (CID 103845086) is 2-[(2-bromo-4-methylphenyl)methylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(2-bromo-4-methylphenyl)methylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(2-bromo-4-methylphenyl)methylamino]-1-thiophen-3-ylethanol is Cc1ccc(CNCC(O)c2ccsc2)c(Br)c1.
What is the InChIKey of 2-[(2-bromo-4-methylphenyl)methylamino]-1-thiophen-3-ylethanol?
The InChIKey is GXYLSZYYKBAGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-10-2-3-11(13(15)6-10)7-16-8-14(17)12-4-5-18-9-12/h2-6,9,14,16-17H,7-8H2,1H3.
What are the key properties of 2-[(2-bromo-4-methylphenyl)methylamino]-1-thiophen-3-ylethanol?
2-[(2-bromo-4-methylphenyl)methylamino]-1-thiophen-3-ylethanol has a molecular weight of 326.26 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-methylphenyl)methylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 103845086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).