2-methyl-N-(quinolin-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine

C18H20N2S — CID 79032042

IUPAC2-methyl-N-(quinolin-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine
SMILESCC(C)(CNCc1ccc2ccccc2n1)c1cccs1
InChIInChI=1S/C18H20N2S/c1-18(2,17-8-5-11-21-17)13-19-12-15-10-9-14-6-3-4-7-16(14)20-15/h3-11,19H,12-13H2,1-2H3
InChIKeyCIECLEMZLOVIRL-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.36
Rot. Bonds5

About 2-methyl-N-(quinolin-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine

2-methyl-N-(quinolin-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine (PubChem CID 79032042) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-methyl-N-(quinolin-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(quinolin-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine
PubChem CID79032042
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name2-methyl-N-(quinolin-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine
SMILESCC(C)(CNCc1ccc2ccccc2n1)c1cccs1
InChIInChI=1S/C18H20N2S/c1-18(2,17-8-5-11-21-17)13-19-12-15-10-9-14-6-3-4-7-16(14)20-15/h3-11,19H,12-13H2,1-2H3
InChIKeyCIECLEMZLOVIRL-UHFFFAOYSA-N
XLogP4.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 114941479
2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 80526416
2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 78963637
2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-thiophen-2-ylpropan-1-amine
CID 80526622
2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 78963459
N-(2-methyl-2-thiophen-2-ylpropyl)quinoxalin-2-amine
CID 78962959
2-methyl-N-(1H-pyrrol-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 80526029
2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 28774774
N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963161
N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963416
N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 114936828
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963193

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(quinolin-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-(quinolin-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine (CID 79032042) is 2-methyl-N-(quinolin-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(quinolin-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(quinolin-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine is CC(C)(CNCc1ccc2ccccc2n1)c1cccs1.
What is the InChIKey of 2-methyl-N-(quinolin-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine?
The InChIKey is CIECLEMZLOVIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-18(2,17-8-5-11-21-17)13-19-12-15-10-9-14-6-3-4-7-16(14)20-15/h3-11,19H,12-13H2,1-2H3.
What are the key properties of 2-methyl-N-(quinolin-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine?
2-methyl-N-(quinolin-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine has a molecular weight of 296.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(quinolin-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 79032042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).