(1R)-1-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)ethanamine

C14H16ClNS — CID 81377853

IUPAC(1R)-1-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
SMILESCC(N[C@H](C)c1ccccc1Cl)c1cccs1
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?/m1/s1
InChIKeyCYVBUXXQQOHACJ-NFJWQWPMSA-N
MW265.81 g/mol
LogP4.81
Rot. Bonds4

About (1R)-1-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)ethanamine

(1R)-1-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)ethanamine (PubChem CID 81377853) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is (1R)-1-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
PubChem CID81377853
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name(1R)-1-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
SMILESCC(N[C@H](C)c1ccccc1Cl)c1cccs1
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?/m1/s1
InChIKeyCYVBUXXQQOHACJ-NFJWQWPMSA-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

1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398285
(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 (1R)-1-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)ethanamine?
The IUPAC name of (1R)-1-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)ethanamine (CID 81377853) is (1R)-1-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)ethanamine?
The canonical SMILES for (1R)-1-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)ethanamine is CC(N[C@H](C)c1ccccc1Cl)c1cccs1.
What is the InChIKey of (1R)-1-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)ethanamine?
The InChIKey is CYVBUXXQQOHACJ-NFJWQWPMSA-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?/m1/s1.
What are the key properties of (1R)-1-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)ethanamine?
(1R)-1-(2-chlorophenyl)-N-(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 (1R)-1-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)ethanamine is sourced from PubChem (CID 81377853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).