2-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]phenol

C14H16ClNOS — CID 113235536

IUPAC2-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]phenol
SMILESCCc1ccc(CNCc2ccc(O)c(Cl)c2)s1
InChIInChI=1S/C14H16ClNOS/c1-2-11-4-5-12(18-11)9-16-8-10-3-6-14(17)13(15)7-10/h3-7,16-17H,2,8-9H2,1H3
InChIKeyVYXPIFGCMYFNKU-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.96
Rot. Bonds5

About 2-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]phenol

2-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]phenol (PubChem CID 113235536) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is 2-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]phenol
PubChem CID113235536
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name2-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]phenol
SMILESCCc1ccc(CNCc2ccc(O)c(Cl)c2)s1
InChIInChI=1S/C14H16ClNOS/c1-2-11-4-5-12(18-11)9-16-8-10-3-6-14(17)13(15)7-10/h3-7,16-17H,2,8-9H2,1H3
InChIKeyVYXPIFGCMYFNKU-UHFFFAOYSA-N
XLogP3.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-[[(5-ethylthiophen-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

2-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]aniline
CID 114137154
2-[(3-chloro-4-hydroxyphenyl)methylamino]acetonitrile
CID 130620315
4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzenesulfonamide
CID 62319235
2-[3-[[(5-ethylthiophen-2-yl)methylamino]methyl]phenyl]acetic acid
CID 22246758
2-chloro-4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol
CID 107647925
N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-3-yl)methanamine
CID 115607181
6-[[(5-ethylthiophen-2-yl)methylamino]methyl]-1,3-benzothiazol-2-amine
CID 106012038
2-chloro-4-(hydrazinylmethyl)phenol
CID 45120147
2-chloro-4-[(2,2-dimethylhydrazinyl)methyl]phenol
CID 83003612
3-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzamide
CID 106010810
2-chloro-4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenol
CID 113247970
N-[(5-ethylthiophen-2-yl)methyl]-1-(4-nitrophenyl)methanamine
CID 60875792

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]phenol?
The IUPAC name of 2-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]phenol (CID 113235536) is 2-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]phenol is CCc1ccc(CNCc2ccc(O)c(Cl)c2)s1.
What is the InChIKey of 2-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]phenol?
The InChIKey is VYXPIFGCMYFNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-2-11-4-5-12(18-11)9-16-8-10-3-6-14(17)13(15)7-10/h3-7,16-17H,2,8-9H2,1H3.
What are the key properties of 2-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]phenol?
2-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]phenol has a molecular weight of 281.81 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[(5-ethylthiophen-2-yl)methylamino]methyl]phenol is sourced from PubChem (CID 113235536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).