1-(5-chlorothiophen-2-yl)-N-(quinolin-2-ylmethyl)ethanamine

C16H15ClN2S — CID 61469363

IUPAC1-(5-chlorothiophen-2-yl)-N-(quinolin-2-ylmethyl)ethanamine
SMILESCC(NCc1ccc2ccccc2n1)c1ccc(Cl)s1
InChIInChI=1S/C16H15ClN2S/c1-11(15-8-9-16(17)20-15)18-10-13-7-6-12-4-2-3-5-14(12)19-13/h2-9,11,18H,10H2,1H3
InChIKeyIVURCGPARVWPFP-UHFFFAOYSA-N
MW302.83 g/mol
LogP4.80
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-N-(quinolin-2-ylmethyl)ethanamine

1-(5-chlorothiophen-2-yl)-N-(quinolin-2-ylmethyl)ethanamine (PubChem CID 61469363) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-(quinolin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-(quinolin-2-ylmethyl)ethanamine
PubChem CID61469363
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC Name1-(5-chlorothiophen-2-yl)-N-(quinolin-2-ylmethyl)ethanamine
SMILESCC(NCc1ccc2ccccc2n1)c1ccc(Cl)s1
InChIInChI=1S/C16H15ClN2S/c1-11(15-8-9-16(17)20-15)18-10-13-7-6-12-4-2-3-5-14(12)19-13/h2-9,11,18H,10H2,1H3
InChIKeyIVURCGPARVWPFP-UHFFFAOYSA-N
XLogP4.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-bromo-2-pyridinyl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 112582004
1-(5-chlorothiophen-2-yl)-2-quinolin-2-ylethanamine
CID 62277076
1-(5-chlorothiophen-2-yl)-N-(quinolin-4-ylmethyl)ethanamine
CID 63850550
N-(quinolin-2-ylmethyl)butan-2-amine
CID 43183332
1-(5-chlorothiophen-2-yl)-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine
CID 62886376
4-methyl-N-(quinolin-2-ylmethyl)pentan-2-amine
CID 43372170
(2R)-2-(quinolin-2-ylmethylamino)propan-1-ol
CID 93083144
2-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine
CID 54954967
N-(quinolin-2-ylmethyl)pentan-3-amine
CID 28774778
1-methylsulfanyl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 115654305
(1R)-1-cyclopentyl-N-(quinolin-2-ylmethyl)ethanamine
CID 81395320
(1S)-1-(3-fluorophenyl)-N-(quinolin-2-ylmethyl)ethanamine
CID 81353377

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(quinolin-2-ylmethyl)ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(quinolin-2-ylmethyl)ethanamine (CID 61469363) is 1-(5-chlorothiophen-2-yl)-N-(quinolin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-(quinolin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-(quinolin-2-ylmethyl)ethanamine is CC(NCc1ccc2ccccc2n1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-(quinolin-2-ylmethyl)ethanamine?
The InChIKey is IVURCGPARVWPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S/c1-11(15-8-9-16(17)20-15)18-10-13-7-6-12-4-2-3-5-14(12)19-13/h2-9,11,18H,10H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-(quinolin-2-ylmethyl)ethanamine?
1-(5-chlorothiophen-2-yl)-N-(quinolin-2-ylmethyl)ethanamine has a molecular weight of 302.83 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-(quinolin-2-ylmethyl)ethanamine is sourced from PubChem (CID 61469363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).