3-[1-(3-bromothiophen-2-yl)ethylamino]phenol

C12H12BrNOS — CID 43771069

IUPAC3-[1-(3-bromothiophen-2-yl)ethylamino]phenol
SMILESCC(Nc1cccc(O)c1)c1sccc1Br
InChIInChI=1S/C12H12BrNOS/c1-8(12-11(13)5-6-16-12)14-9-3-2-4-10(15)7-9/h2-8,14-15H,1H3
InChIKeyRVHCWROZELSEFH-UHFFFAOYSA-N
MW298.21 g/mol
LogP4.39
Rot. Bonds3

About 3-[1-(3-bromothiophen-2-yl)ethylamino]phenol

3-[1-(3-bromothiophen-2-yl)ethylamino]phenol (PubChem CID 43771069) has the molecular formula C12H12BrNOS and a molecular weight of 298.21 g/mol. Its IUPAC name is 3-[1-(3-bromothiophen-2-yl)ethylamino]phenol.

Molecular Properties

Compound Name3-[1-(3-bromothiophen-2-yl)ethylamino]phenol
PubChem CID43771069
Molecular FormulaC12H12BrNOS
Molecular Weight298.21 g/mol
Exact Mass296.98
IUPAC Name3-[1-(3-bromothiophen-2-yl)ethylamino]phenol
SMILESCC(Nc1cccc(O)c1)c1sccc1Br
InChIInChI=1S/C12H12BrNOS/c1-8(12-11(13)5-6-16-12)14-9-3-2-4-10(15)7-9/h2-8,14-15H,1H3
InChIKeyRVHCWROZELSEFH-UHFFFAOYSA-N
XLogP4.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromothiophen-2-yl)ethyl]-3-(methoxymethyl)aniline
CID 43778897
3-[1-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]phenol
CID 43791633
N-[1-(3-bromothiophen-2-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 60943943
4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-3-methylaniline
CID 43759920
N-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]cyclopropanecarboxamide
CID 43766323
N-[1-(3-bromothiophen-2-yl)ethyl]-3-butan-2-yloxyaniline
CID 63477114
tert-butyl N-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]carbamate
CID 107239784
N-[1-(3-bromothiophen-2-yl)ethyl]-3-chloro-4-methylaniline
CID 43757455
3-[1-(4-bromophenyl)ethylamino]phenol
CID 43206955
3-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one
CID 43787438
N-[1-(3-bromothiophen-2-yl)ethyl]-3-(1,2,4-triazol-1-ylmethyl)aniline
CID 60931906
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylaniline
CID 43759216

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-bromothiophen-2-yl)ethylamino]phenol?
The IUPAC name of 3-[1-(3-bromothiophen-2-yl)ethylamino]phenol (CID 43771069) is 3-[1-(3-bromothiophen-2-yl)ethylamino]phenol.
What is the SMILES notation for 3-[1-(3-bromothiophen-2-yl)ethylamino]phenol?
The canonical SMILES for 3-[1-(3-bromothiophen-2-yl)ethylamino]phenol is CC(Nc1cccc(O)c1)c1sccc1Br.
What is the InChIKey of 3-[1-(3-bromothiophen-2-yl)ethylamino]phenol?
The InChIKey is RVHCWROZELSEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c1-8(12-11(13)5-6-16-12)14-9-3-2-4-10(15)7-9/h2-8,14-15H,1H3.
What are the key properties of 3-[1-(3-bromothiophen-2-yl)ethylamino]phenol?
3-[1-(3-bromothiophen-2-yl)ethylamino]phenol has a molecular weight of 298.21 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-bromothiophen-2-yl)ethylamino]phenol is sourced from PubChem (CID 43771069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).