1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine

C14H16ClNS — CID 81398285

IUPAC1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
SMILESCC(N[C@@H](C)c1cccs1)c1ccccc1Cl
InChIInChI=1S/C14H16ClNS/c1-10(12-6-3-4-7-13(12)15)16-11(2)14-8-5-9-17-14/h3-11,16H,1-2H3/t10?,11-/m0/s1
InChIKeyCYVBUXXQQOHACJ-DTIOYNMSSA-N
MW265.81 g/mol
LogP4.81
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine

1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine (PubChem CID 81398285) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
PubChem CID81398285
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
SMILESCC(N[C@@H](C)c1cccs1)c1ccccc1Cl
InChIInChI=1S/C14H16ClNS/c1-10(12-6-3-4-7-13(12)15)16-11(2)14-8-5-9-17-14/h3-11,16H,1-2H3/t10?,11-/m0/s1
InChIKeyCYVBUXXQQOHACJ-DTIOYNMSSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 81377853
(1S)-1-(2-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 103914683
N-[(1R)-1-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 81398630
1-(2-chlorophenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol
CID 81408060
1-(2-chlorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
CID 81409365
N-[1-(2-chlorophenyl)ethyl]-1-thiophen-3-ylethanamine
CID 55032423
1-(2-nitrophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 43147647
(1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 81355519
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-thiophen-2-ylethanamine
CID 43206081
(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865
(1S)-1-(2-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine
CID 81377416
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350627

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine (CID 81398285) is 1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine is CC(N[C@@H](C)c1cccs1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine?
The InChIKey is CYVBUXXQQOHACJ-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-10(12-6-3-4-7-13(12)15)16-11(2)14-8-5-9-17-14/h3-11,16H,1-2H3/t10?,11-/m0/s1.
What are the key properties of 1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine?
1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine has a molecular weight of 265.81 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine is sourced from PubChem (CID 81398285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).