3-(2-chloroethoxy)-5-ethylthiophen-2-amine

C8H12ClNOS — CID 167390381

IUPAC3-(2-chloroethoxy)-5-ethylthiophen-2-amine
SMILESCCc1cc(OCCCl)c(N)s1
InChIInChI=1S/C8H12ClNOS/c1-2-6-5-7(8(10)12-6)11-4-3-9/h5H,2-4,10H2,1H3
InChIKeyBHOCXWHBFRUMGN-UHFFFAOYSA-N
MW205.71 g/mol
LogP2.51
Rot. Bonds4

About 3-(2-chloroethoxy)-5-ethylthiophen-2-amine

3-(2-chloroethoxy)-5-ethylthiophen-2-amine (PubChem CID 167390381) has the molecular formula C8H12ClNOS and a molecular weight of 205.71 g/mol. Its IUPAC name is 3-(2-chloroethoxy)-5-ethylthiophen-2-amine.

Molecular Properties

Compound Name3-(2-chloroethoxy)-5-ethylthiophen-2-amine
PubChem CID167390381
Molecular FormulaC8H12ClNOS
Molecular Weight205.71 g/mol
Exact Mass205.03
IUPAC Name3-(2-chloroethoxy)-5-ethylthiophen-2-amine
SMILESCCc1cc(OCCCl)c(N)s1
InChIInChI=1S/C8H12ClNOS/c1-2-6-5-7(8(10)12-6)11-4-3-9/h5H,2-4,10H2,1H3
InChIKeyBHOCXWHBFRUMGN-UHFFFAOYSA-N
XLogP2.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-(2-chloroethoxy)-5-ethylthiophen-2-amine 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

1-(2-chloroethoxy)-2-ethylbenzene
CID 43173826
5-ethyl-3-(3-fluoropropoxy)thiophene-2-carboxylic acid
CID 81106395
2,6-diethyl-1-benzothiophen-5-amine
CID 130914459
5-ethyl-2-methylthiophen-3-amine
CID 123752198
N-(2-amino-5-ethylthiophen-3-yl)formamide
CID 175238590
6-chloro-2-ethyl-1-benzothiophen-5-amine
CID 130805171
5,6-bis(3-chloropropoxy)-3-ethyl-1-benzothiophene
CID 68659188
1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene
CID 11233233
2-(2-chloroethoxy)pyridin-4-amine
CID 174645890
1-bromo-4-(3-chloropropoxy)-5-ethyl-2-methylbenzene
CID 142063917
(2-amino-5-ethylthiophen-3-yl)-(4-chlorophenyl)methanone
CID 18974891
4-chloro-2-(2-chloroethoxy)-1-methoxybenzene
CID 19982180

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethoxy)-5-ethylthiophen-2-amine?
The IUPAC name of 3-(2-chloroethoxy)-5-ethylthiophen-2-amine (CID 167390381) is 3-(2-chloroethoxy)-5-ethylthiophen-2-amine.
What is the SMILES notation for 3-(2-chloroethoxy)-5-ethylthiophen-2-amine?
The canonical SMILES for 3-(2-chloroethoxy)-5-ethylthiophen-2-amine is CCc1cc(OCCCl)c(N)s1.
What is the InChIKey of 3-(2-chloroethoxy)-5-ethylthiophen-2-amine?
The InChIKey is BHOCXWHBFRUMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNOS/c1-2-6-5-7(8(10)12-6)11-4-3-9/h5H,2-4,10H2,1H3.
What are the key properties of 3-(2-chloroethoxy)-5-ethylthiophen-2-amine?
3-(2-chloroethoxy)-5-ethylthiophen-2-amine has a molecular weight of 205.71 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethoxy)-5-ethylthiophen-2-amine is sourced from PubChem (CID 167390381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).