4-[(1-benzothiophen-5-ylamino)methyl]phenol

C15H13NOS — CID 43687694

IUPAC4-[(1-benzothiophen-5-ylamino)methyl]phenol
SMILESOc1ccc(CNc2ccc3sccc3c2)cc1
InChIInChI=1S/C15H13NOS/c17-14-4-1-11(2-5-14)10-16-13-3-6-15-12(9-13)7-8-18-15/h1-9,16-17H,10H2
InChIKeyVRVCFNXTTWAERZ-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.22
Rot. Bonds3

About 4-[(1-benzothiophen-5-ylamino)methyl]phenol

4-[(1-benzothiophen-5-ylamino)methyl]phenol (PubChem CID 43687694) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-[(1-benzothiophen-5-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-[(1-benzothiophen-5-ylamino)methyl]phenol
PubChem CID43687694
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name4-[(1-benzothiophen-5-ylamino)methyl]phenol
SMILESOc1ccc(CNc2ccc3sccc3c2)cc1
InChIInChI=1S/C15H13NOS/c17-14-4-1-11(2-5-14)10-16-13-3-6-15-12(9-13)7-8-18-15/h1-9,16-17H,10H2
InChIKeyVRVCFNXTTWAERZ-UHFFFAOYSA-N
XLogP4.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(naphthalen-2-ylamino)methyl]phenol
CID 13418576
3-[(1-benzothiophen-5-ylamino)methyl]benzoic acid
CID 103252357
N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine
CID 43687735
2-[(1-benzothiophen-5-ylamino)methyl]-3-chlorophenol
CID 114317994
2-[(1-benzothiophen-5-ylamino)methyl]-5-methoxyphenol
CID 61261763
2-[(1-benzothiophen-5-ylamino)methyl]-6-bromophenol
CID 61390955
2-[4-[(1-benzothiophen-5-ylamino)methyl]pyrazol-1-yl]ethanol
CID 64828407
N-[(2,4,5-trimethylphenyl)methyl]-1-benzothiophen-5-amine
CID 43781960
N-[(5-nitrothiophen-3-yl)methyl]-1-benzothiophen-5-amine
CID 60812580
(2R)-1-(1-benzothiophen-5-ylamino)propan-2-ol
CID 106932216
2-[(1-benzothiophen-5-ylamino)methyl]-4-methoxyphenol
CID 43687645
4-[(1,3-benzothiazol-6-ylamino)methyl]phenol
CID 103953931

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzothiophen-5-ylamino)methyl]phenol?
The IUPAC name of 4-[(1-benzothiophen-5-ylamino)methyl]phenol (CID 43687694) is 4-[(1-benzothiophen-5-ylamino)methyl]phenol.
What is the SMILES notation for 4-[(1-benzothiophen-5-ylamino)methyl]phenol?
The canonical SMILES for 4-[(1-benzothiophen-5-ylamino)methyl]phenol is Oc1ccc(CNc2ccc3sccc3c2)cc1.
What is the InChIKey of 4-[(1-benzothiophen-5-ylamino)methyl]phenol?
The InChIKey is VRVCFNXTTWAERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c17-14-4-1-11(2-5-14)10-16-13-3-6-15-12(9-13)7-8-18-15/h1-9,16-17H,10H2.
What are the key properties of 4-[(1-benzothiophen-5-ylamino)methyl]phenol?
4-[(1-benzothiophen-5-ylamino)methyl]phenol has a molecular weight of 255.34 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzothiophen-5-ylamino)methyl]phenol is sourced from PubChem (CID 43687694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).