(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine

C13H14ClNS — CID 28564868

IUPAC(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
SMILESC[C@H](NCc1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C13H14ClNS/c1-10(11-5-3-2-4-6-11)15-9-12-7-8-13(14)16-12/h2-8,10,15H,9H2,1H3/t10-/m0/s1
InChIKeyGOJSXQZYTSSYKH-JTQLQIEISA-N
MW251.78 g/mol
LogP4.25
Rot. Bonds4

About (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine

(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine (PubChem CID 28564868) has the molecular formula C13H14ClNS and a molecular weight of 251.78 g/mol. Its IUPAC name is (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
PubChem CID28564868
Molecular FormulaC13H14ClNS
Molecular Weight251.78 g/mol
Exact Mass251.05
IUPAC Name(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
SMILESC[C@H](NCc1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C13H14ClNS/c1-10(11-5-3-2-4-6-11)15-9-12-7-8-13(14)16-12/h2-8,10,15H,9H2,1H3/t10-/m0/s1
InChIKeyGOJSXQZYTSSYKH-JTQLQIEISA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine 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

N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 43179335
1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine
CID 78022429
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356848
N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine
CID 4715520
(1R)-1-(3-bromophenyl)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 81382627
N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43182699
(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28683186
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 28655921
N-[(5-chlorothiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 43181722
N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-1-phenylbutan-1-amine
CID 43232185
(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 28653095
N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62841664

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine?
The IUPAC name of (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine (CID 28564868) is (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine.
What is the SMILES notation for (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine?
The canonical SMILES for (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine is C[C@H](NCc1ccc(Cl)s1)c1ccccc1.
What is the InChIKey of (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine?
The InChIKey is GOJSXQZYTSSYKH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14ClNS/c1-10(11-5-3-2-4-6-11)15-9-12-7-8-13(14)16-12/h2-8,10,15H,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine?
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine has a molecular weight of 251.78 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine is sourced from PubChem (CID 28564868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).