2-chloro-N-(2-thiophen-2-ylethyl)prop-2-en-1-amine

C9H12ClNS — CID 60695451

IUPAC2-chloro-N-(2-thiophen-2-ylethyl)prop-2-en-1-amine
SMILESC=C(Cl)CNCCc1cccs1
InChIInChI=1S/C9H12ClNS/c1-8(10)7-11-5-4-9-3-2-6-12-9/h2-3,6,11H,1,4-5,7H2
InChIKeyXHYSWMGMLKMTIK-UHFFFAOYSA-N
MW201.72 g/mol
LogP2.63
Rot. Bonds5

About 2-chloro-N-(2-thiophen-2-ylethyl)prop-2-en-1-amine

2-chloro-N-(2-thiophen-2-ylethyl)prop-2-en-1-amine (PubChem CID 60695451) has the molecular formula C9H12ClNS and a molecular weight of 201.72 g/mol. Its IUPAC name is 2-chloro-N-(2-thiophen-2-ylethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-(2-thiophen-2-ylethyl)prop-2-en-1-amine
PubChem CID60695451
Molecular FormulaC9H12ClNS
Molecular Weight201.72 g/mol
Exact Mass201.04
IUPAC Name2-chloro-N-(2-thiophen-2-ylethyl)prop-2-en-1-amine
SMILESC=C(Cl)CNCCc1cccs1
InChIInChI=1S/C9H12ClNS/c1-8(10)7-11-5-4-9-3-2-6-12-9/h2-3,6,11H,1,4-5,7H2
InChIKeyXHYSWMGMLKMTIK-UHFFFAOYSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.72
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2-thiophen-2-ylethyl)prop-2-en-1-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

2-(2-thiophen-2-ylethylamino)acetic acid
CID 28888414
N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113
N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160
2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 65024360
N-(2-chloroprop-2-enyl)-2-thiophen-2-ylacetamide
CID 115636481
N-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 15887858
5-(2-thiophen-2-ylethylamino)pentanoic acid
CID 103235534
2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol
CID 79361899
1-(2-thiophen-2-ylethylamino)butan-2-ol
CID 13476299
1-(4-chlorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol
CID 60724741
N-(azetidin-3-ylmethyl)-2-thiophen-2-ylethanamine
CID 115207735
2-hydroxy-3-(2-thiophen-2-ylethylamino)propanamide
CID 106174788

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-thiophen-2-ylethyl)prop-2-en-1-amine?
The IUPAC name of 2-chloro-N-(2-thiophen-2-ylethyl)prop-2-en-1-amine (CID 60695451) is 2-chloro-N-(2-thiophen-2-ylethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-(2-thiophen-2-ylethyl)prop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-(2-thiophen-2-ylethyl)prop-2-en-1-amine is C=C(Cl)CNCCc1cccs1.
What is the InChIKey of 2-chloro-N-(2-thiophen-2-ylethyl)prop-2-en-1-amine?
The InChIKey is XHYSWMGMLKMTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNS/c1-8(10)7-11-5-4-9-3-2-6-12-9/h2-3,6,11H,1,4-5,7H2.
What are the key properties of 2-chloro-N-(2-thiophen-2-ylethyl)prop-2-en-1-amine?
2-chloro-N-(2-thiophen-2-ylethyl)prop-2-en-1-amine has a molecular weight of 201.72 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-thiophen-2-ylethyl)prop-2-en-1-amine is sourced from PubChem (CID 60695451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).