4-[5-(1-aminoethyl)thiophen-2-yl]phenol

C12H13NOS — CID 82542128

IUPAC4-[5-(1-aminoethyl)thiophen-2-yl]phenol
SMILESCC(N)c1ccc(-c2ccc(O)cc2)s1
InChIInChI=1S/C12H13NOS/c1-8(13)11-6-7-12(15-11)9-2-4-10(14)5-3-9/h2-8,14H,13H2,1H3
InChIKeyBOYYPFDYHIEWRY-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.14
Rot. Bonds2

About 4-[5-(1-aminoethyl)thiophen-2-yl]phenol

4-[5-(1-aminoethyl)thiophen-2-yl]phenol (PubChem CID 82542128) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-[5-(1-aminoethyl)thiophen-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(1-aminoethyl)thiophen-2-yl]phenol
PubChem CID82542128
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name4-[5-(1-aminoethyl)thiophen-2-yl]phenol
SMILESCC(N)c1ccc(-c2ccc(O)cc2)s1
InChIInChI=1S/C12H13NOS/c1-8(13)11-6-7-12(15-11)9-2-4-10(14)5-3-9/h2-8,14H,13H2,1H3
InChIKeyBOYYPFDYHIEWRY-UHFFFAOYSA-N
XLogP3.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-(4-Aminophenyl)thiophen-2-yl)phenol
CID 44408840
4-[6-(3-phenylpropylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]phenol
CID 156021874
4-(5-Thiophen-2-yl-4,5-dihydro-1h-pyrazol-3-yl)-phenol
CID 4738378
US9676701, 113 3-(5-((trans)-2-aminocyclopropyl)thiophen-2-yl)phenol trihydrochloride
CID 56650939
2-(4-Methoxyphenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062038
4-[(Thiophen-2-ylmethylamino)methyl]phenol
CID 677150
4-Hydroxy-3-[1-(2-thiophen-2-ylethylamino)ethyl]benzonitrile
CID 44326349
4-(4-Hydroxyphenyl)thiophene-2-carbothioamide
CID 132137110
5-(4-Hydroxyphenyl)thiophene-2-carbothioamide
CID 137249992
2-(4-Methoxyphenyl)-1-thiophen-2-ylethanamine
CID 3062039
4-[5-[(1E,3E)-1-amino-1-fluorohexa-1,3,5-trien-3-yl]thiophen-2-yl]phenol
CID 144170234
4-{[(2-Thienylmethyl)amino]methyl}benzenol hydrachloride
CID 16413966

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-aminoethyl)thiophen-2-yl]phenol?
The IUPAC name of 4-[5-(1-aminoethyl)thiophen-2-yl]phenol (CID 82542128) is 4-[5-(1-aminoethyl)thiophen-2-yl]phenol.
What is the SMILES notation for 4-[5-(1-aminoethyl)thiophen-2-yl]phenol?
The canonical SMILES for 4-[5-(1-aminoethyl)thiophen-2-yl]phenol is CC(N)c1ccc(-c2ccc(O)cc2)s1.
What is the InChIKey of 4-[5-(1-aminoethyl)thiophen-2-yl]phenol?
The InChIKey is BOYYPFDYHIEWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-8(13)11-6-7-12(15-11)9-2-4-10(14)5-3-9/h2-8,14H,13H2,1H3.
What are the key properties of 4-[5-(1-aminoethyl)thiophen-2-yl]phenol?
4-[5-(1-aminoethyl)thiophen-2-yl]phenol has a molecular weight of 219.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-aminoethyl)thiophen-2-yl]phenol is sourced from PubChem (CID 82542128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).