4-[[(3-chloro-1-benzothiophen-2-yl)methylamino]methyl]phenol

C16H14ClNOS — CID 115603303

IUPAC4-[[(3-chloro-1-benzothiophen-2-yl)methylamino]methyl]phenol
SMILESOc1ccc(CNCc2sc3ccccc3c2Cl)cc1
InChIInChI=1S/C16H14ClNOS/c17-16-13-3-1-2-4-14(13)20-15(16)10-18-9-11-5-7-12(19)8-6-11/h1-8,18-19H,9-10H2
InChIKeyUFCWJRXINYVKFQ-UHFFFAOYSA-N
MW303.81 g/mol
LogP4.55
Rot. Bonds4

About 4-[[(3-chloro-1-benzothiophen-2-yl)methylamino]methyl]phenol

4-[[(3-chloro-1-benzothiophen-2-yl)methylamino]methyl]phenol (PubChem CID 115603303) has the molecular formula C16H14ClNOS and a molecular weight of 303.81 g/mol. Its IUPAC name is 4-[[(3-chloro-1-benzothiophen-2-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[(3-chloro-1-benzothiophen-2-yl)methylamino]methyl]phenol
PubChem CID115603303
Molecular FormulaC16H14ClNOS
Molecular Weight303.81 g/mol
Exact Mass303.05
IUPAC Name4-[[(3-chloro-1-benzothiophen-2-yl)methylamino]methyl]phenol
SMILESOc1ccc(CNCc2sc3ccccc3c2Cl)cc1
InChIInChI=1S/C16H14ClNOS/c17-16-13-3-1-2-4-14(13)20-15(16)10-18-9-11-5-7-12(19)8-6-11/h1-8,18-19H,9-10H2
InChIKeyUFCWJRXINYVKFQ-UHFFFAOYSA-N
XLogP4.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(3-chloro-1-benzothiophen-2-yl)methylamino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-Chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-4-yl)phenol
CID 20546720
4-{[(2-Thienylmethyl)amino]methyl}benzenol hydrachloride
CID 16413966
4-[[1-(5-Chlorothiophen-2-yl)ethylamino]methyl]-2,6-difluorophenol
CID 79831207
4-[[(5-Chlorothiophen-2-yl)methylamino]methyl]-2,6-difluorophenol
CID 79832211
4-[[2-(5-Chlorothiophen-2-yl)ethylamino]methyl]-2,6-difluorophenol
CID 103735245
4-[[2-(5-Chlorothiophen-2-yl)ethylamino]methyl]-2-fluorophenol
CID 106041366
4-[1-[2-(5-Chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol
CID 106041812
4-[1-[1-(5-Chlorothiophen-2-yl)ethylamino]ethyl]-3-fluorophenol
CID 107714803
4-[[(5-Chlorothiophen-2-yl)methylamino]methyl]-2-fluorophenol
CID 113239712
4-[[1-(5-Chlorothiophen-2-yl)ethylamino]methyl]-2-fluorophenol
CID 113261851
4-[1-[(5-Chlorothiophen-2-yl)methylamino]ethyl]-3-fluorophenol
CID 113992839
4-[2-(1-Benzothiophen-3-ylmethylamino)ethyl]phenol
CID 61809136

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-chloro-1-benzothiophen-2-yl)methylamino]methyl]phenol?
The IUPAC name of 4-[[(3-chloro-1-benzothiophen-2-yl)methylamino]methyl]phenol (CID 115603303) is 4-[[(3-chloro-1-benzothiophen-2-yl)methylamino]methyl]phenol.
What is the SMILES notation for 4-[[(3-chloro-1-benzothiophen-2-yl)methylamino]methyl]phenol?
The canonical SMILES for 4-[[(3-chloro-1-benzothiophen-2-yl)methylamino]methyl]phenol is Oc1ccc(CNCc2sc3ccccc3c2Cl)cc1.
What is the InChIKey of 4-[[(3-chloro-1-benzothiophen-2-yl)methylamino]methyl]phenol?
The InChIKey is UFCWJRXINYVKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNOS/c17-16-13-3-1-2-4-14(13)20-15(16)10-18-9-11-5-7-12(19)8-6-11/h1-8,18-19H,9-10H2.
What are the key properties of 4-[[(3-chloro-1-benzothiophen-2-yl)methylamino]methyl]phenol?
4-[[(3-chloro-1-benzothiophen-2-yl)methylamino]methyl]phenol has a molecular weight of 303.81 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-chloro-1-benzothiophen-2-yl)methylamino]methyl]phenol is sourced from PubChem (CID 115603303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).