2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]ethanol

C16H19NOS — CID 62842148

IUPAC2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]ethanol
SMILESOCCc1ccc(NC2CCCc3sccc32)cc1
InChIInChI=1S/C16H19NOS/c18-10-8-12-4-6-13(7-5-12)17-15-2-1-3-16-14(15)9-11-19-16/h4-7,9,11,15,17-18H,1-3,8,10H2
InChIKeyQXDAJUGIJFCNFQ-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.77
Rot. Bonds4

About 2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]ethanol

2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]ethanol (PubChem CID 62842148) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]ethanol
PubChem CID62842148
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]ethanol
SMILESOCCc1ccc(NC2CCCc3sccc32)cc1
InChIInChI=1S/C16H19NOS/c18-10-8-12-4-6-13(7-5-12)17-15-2-1-3-16-14(15)9-11-19-16/h4-7,9,11,15,17-18H,1-3,8,10H2
InChIKeyQXDAJUGIJFCNFQ-UHFFFAOYSA-N
XLogP3.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]ethanol with MolForge

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Related Compounds

4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzoic acid
CID 62841761
1-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]ethanone
CID 114468225
2-methyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzene-1,4-diamine
CID 62840971
N-(3-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 55122390
N-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841936
4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol
CID 62839946
[1-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]cyclopropyl]methanol
CID 81343397
N-(3-phenylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 55122196
4-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butyl]phenol
CID 62842491
5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pentan-1-ol
CID 62839954
N-(3-pyrrol-1-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 63445840
2-chloro-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzonitrile
CID 55121857

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]ethanol?
The IUPAC name of 2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]ethanol (CID 62842148) is 2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]ethanol.
What is the SMILES notation for 2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]ethanol?
The canonical SMILES for 2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]ethanol is OCCc1ccc(NC2CCCc3sccc32)cc1.
What is the InChIKey of 2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]ethanol?
The InChIKey is QXDAJUGIJFCNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c18-10-8-12-4-6-13(7-5-12)17-15-2-1-3-16-14(15)9-11-19-16/h4-7,9,11,15,17-18H,1-3,8,10H2.
What are the key properties of 2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]ethanol?
2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]ethanol has a molecular weight of 273.40 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]ethanol is sourced from PubChem (CID 62842148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).