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

C14H16BrNOS — CID 43791633

IUPAC3-[1-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]phenol
SMILESCC(NC(C)c1sccc1Br)c1cccc(O)c1
InChIInChI=1S/C14H16BrNOS/c1-9(11-4-3-5-12(17)8-11)16-10(2)14-13(15)6-7-18-14/h3-10,16-17H,1-2H3
InChIKeyXXUFAVCMBIAPTA-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.63
Rot. Bonds4

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

3-[1-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]phenol (PubChem CID 43791633) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 3-[1-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]phenol
PubChem CID43791633
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name3-[1-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]phenol
SMILESCC(NC(C)c1sccc1Br)c1cccc(O)c1
InChIInChI=1S/C14H16BrNOS/c1-9(11-4-3-5-12(17)8-11)16-10(2)14-13(15)6-7-18-14/h3-10,16-17H,1-2H3
InChIKeyXXUFAVCMBIAPTA-UHFFFAOYSA-N
XLogP4.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-bromothiophen-2-yl)ethylamino]phenol
CID 43771069
3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol
CID 43673297
(1S)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81345327
N-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 54863047
1-(3-bromo-4-methoxyphenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine
CID 43788874
(1S)-1-(2-bromophenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine
CID 81383637
3-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol
CID 43723051
3-[1-(2,6-dibromoanilino)ethyl]phenol
CID 107597330
N-[1-(3-bromothiophen-2-yl)ethyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43786855
N-[1-(3-bromothiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43787401
3-[1-[1-(4-bromophenyl)propylamino]ethyl]phenol
CID 43692345
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine
CID 43775777

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]phenol?
The IUPAC name of 3-[1-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]phenol (CID 43791633) is 3-[1-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]phenol.
What is the SMILES notation for 3-[1-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]phenol?
The canonical SMILES for 3-[1-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]phenol is CC(NC(C)c1sccc1Br)c1cccc(O)c1.
What is the InChIKey of 3-[1-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]phenol?
The InChIKey is XXUFAVCMBIAPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-9(11-4-3-5-12(17)8-11)16-10(2)14-13(15)6-7-18-14/h3-10,16-17H,1-2H3.
What are the key properties of 3-[1-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]phenol?
3-[1-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]phenol has a molecular weight of 326.26 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]phenol is sourced from PubChem (CID 43791633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).