N-(quinolin-4-ylmethyl)-1-thiophen-2-ylpropan-2-amine

C17H18N2S — CID 63850551

IUPACN-(quinolin-4-ylmethyl)-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NCc1ccnc2ccccc12
InChIInChI=1S/C17H18N2S/c1-13(11-15-5-4-10-20-15)19-12-14-8-9-18-17-7-3-2-6-16(14)17/h2-10,13,19H,11-12H2,1H3
InChIKeyRUGRORXUHTUILY-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.02
Rot. Bonds5

About N-(quinolin-4-ylmethyl)-1-thiophen-2-ylpropan-2-amine

N-(quinolin-4-ylmethyl)-1-thiophen-2-ylpropan-2-amine (PubChem CID 63850551) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(quinolin-4-ylmethyl)-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(quinolin-4-ylmethyl)-1-thiophen-2-ylpropan-2-amine
PubChem CID63850551
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC NameN-(quinolin-4-ylmethyl)-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NCc1ccnc2ccccc12
InChIInChI=1S/C17H18N2S/c1-13(11-15-5-4-10-20-15)19-12-14-8-9-18-17-7-3-2-6-16(14)17/h2-10,13,19H,11-12H2,1H3
InChIKeyRUGRORXUHTUILY-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 66416209
(2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine
CID 104868148
N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432739
4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-3,4-diamine
CID 103963293
3-ethyl-N-(quinolin-4-ylmethyl)pentan-2-amine
CID 63852270
(2S)-3-methyl-2-(quinolin-4-ylmethylamino)butan-1-ol
CID 79253789
N-(quinolin-5-ylmethyl)butan-2-amine
CID 62340535
4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one
CID 143524850
1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 63850384
methyl 2-(quinolin-4-ylmethylamino)propanoate
CID 55251614
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432807
(1S)-1-(2-bromophenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 81378788

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-4-ylmethyl)-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-(quinolin-4-ylmethyl)-1-thiophen-2-ylpropan-2-amine (CID 63850551) is N-(quinolin-4-ylmethyl)-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-(quinolin-4-ylmethyl)-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-(quinolin-4-ylmethyl)-1-thiophen-2-ylpropan-2-amine is CC(Cc1cccs1)NCc1ccnc2ccccc12.
What is the InChIKey of N-(quinolin-4-ylmethyl)-1-thiophen-2-ylpropan-2-amine?
The InChIKey is RUGRORXUHTUILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-13(11-15-5-4-10-20-15)19-12-14-8-9-18-17-7-3-2-6-16(14)17/h2-10,13,19H,11-12H2,1H3.
What are the key properties of N-(quinolin-4-ylmethyl)-1-thiophen-2-ylpropan-2-amine?
N-(quinolin-4-ylmethyl)-1-thiophen-2-ylpropan-2-amine has a molecular weight of 282.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-4-ylmethyl)-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 63850551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).