N-[(3-methylthiophen-2-yl)methyl]-2-quinolin-8-ylethanamine

C17H18N2S — CID 78870691

IUPACN-[(3-methylthiophen-2-yl)methyl]-2-quinolin-8-ylethanamine
SMILESCc1ccsc1CNCCc1cccc2cccnc12
InChIInChI=1S/C17H18N2S/c1-13-8-11-20-16(13)12-18-10-7-15-5-2-4-14-6-3-9-19-17(14)15/h2-6,8-9,11,18H,7,10,12H2,1H3
InChIKeyKWDVIFWWJFRBDC-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.94
Rot. Bonds5

About N-[(3-methylthiophen-2-yl)methyl]-2-quinolin-8-ylethanamine

N-[(3-methylthiophen-2-yl)methyl]-2-quinolin-8-ylethanamine (PubChem CID 78870691) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-2-quinolin-8-ylethanamine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-2-quinolin-8-ylethanamine
PubChem CID78870691
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-2-quinolin-8-ylethanamine
SMILESCc1ccsc1CNCCc1cccc2cccnc12
InChIInChI=1S/C17H18N2S/c1-13-8-11-20-16(13)12-18-10-7-15-5-2-4-14-6-3-9-19-17(14)15/h2-6,8-9,11,18H,7,10,12H2,1H3
InChIKeyKWDVIFWWJFRBDC-UHFFFAOYSA-N
XLogP3.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-quinolin-8-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 112727575
2-[(2-quinolin-8-ylethylamino)methyl]phenol
CID 78916472
2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81428422
2-[(quinolin-8-ylmethylamino)methyl]thiophen-3-amine
CID 81426142
1-(2-quinolin-8-ylethylamino)propan-2-ol
CID 81428765
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
1-(2-chloro-3-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine;hydrochloride
CID 115614207
N-[(3-methyloxetan-3-yl)methyl]-2-quinolin-8-ylethanamine
CID 81428081
1-(3-methyl-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 63305626
3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine
CID 81426941
1-(5-chloroquinolin-8-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 115697393
N-[(5-iodofuran-2-yl)methyl]-2-quinolin-8-ylethanamine
CID 81426993

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-quinolin-8-ylethanamine?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-quinolin-8-ylethanamine (CID 78870691) is N-[(3-methylthiophen-2-yl)methyl]-2-quinolin-8-ylethanamine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-2-quinolin-8-ylethanamine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-2-quinolin-8-ylethanamine is Cc1ccsc1CNCCc1cccc2cccnc12.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-2-quinolin-8-ylethanamine?
The InChIKey is KWDVIFWWJFRBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-13-8-11-20-16(13)12-18-10-7-15-5-2-4-14-6-3-9-19-17(14)15/h2-6,8-9,11,18H,7,10,12H2,1H3.
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-2-quinolin-8-ylethanamine?
N-[(3-methylthiophen-2-yl)methyl]-2-quinolin-8-ylethanamine has a molecular weight of 282.41 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-2-quinolin-8-ylethanamine is sourced from PubChem (CID 78870691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).