2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-amine

C13H15ClN2S — CID 81351915

IUPAC2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-amine
SMILESC[C@H](NCc1sccc1N)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2S/c1-9(10-2-4-11(14)5-3-10)16-8-13-12(15)6-7-17-13/h2-7,9,16H,8,15H2,1H3/t9-/m0/s1
InChIKeyGLLOHWHEYMJSGF-VIFPVBQESA-N
MW266.80 g/mol
LogP3.83
Rot. Bonds4

About 2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-amine

2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-amine (PubChem CID 81351915) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-amine
PubChem CID81351915
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-amine
SMILESC[C@H](NCc1sccc1N)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2S/c1-9(10-2-4-11(14)5-3-10)16-8-13-12(15)6-7-17-13/h2-7,9,16H,8,15H2,1H3/t9-/m0/s1
InChIKeyGLLOHWHEYMJSGF-VIFPVBQESA-N
XLogP3.83
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-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-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]thiophen-3-amine
CID 81360179
2-[[1-(3,4-dichlorophenyl)ethylamino]methyl]thiophen-3-amine
CID 66386508
4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]benzenesulfonamide
CID 66386535
[4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]phenyl]urea
CID 66386169
(1S)-1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81353359
2-[(4-chloroanilino)methyl]thiophen-3-amine
CID 66386898
2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]thiophen-3-amine
CID 81403332
2-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophen-3-amine
CID 66385737
(1R)-1-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 81350040
2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-3-amine
CID 66386414
(1R)-1-(4-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]ethanamine
CID 81352477
1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 43180807

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-amine (CID 81351915) is 2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-amine is C[C@H](NCc1sccc1N)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-amine?
The InChIKey is GLLOHWHEYMJSGF-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-9(10-2-4-11(14)5-3-10)16-8-13-12(15)6-7-17-13/h2-7,9,16H,8,15H2,1H3/t9-/m0/s1.
What are the key properties of 2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-amine?
2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-amine has a molecular weight of 266.80 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-amine is sourced from PubChem (CID 81351915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).