(3R)-N-ethyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine

C18H20N2OS — CID 135178793

IUPAC(3R)-N-ethyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine
SMILESCCNCC[C@@H](Oc1cccc2ncccc12)c1cccs1
InChIInChI=1S/C18H20N2OS/c1-2-19-12-10-17(18-9-5-13-22-18)21-16-8-3-7-15-14(16)6-4-11-20-15/h3-9,11,13,17,19H,2,10,12H2,1H3/t17-/m1/s1
InChIKeyWEWQQKCEOUCLAO-QGZVFWFLSA-N
MW312.44 g/mol
LogP4.42
Rot. Bonds7

About (3R)-N-ethyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine

(3R)-N-ethyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine (PubChem CID 135178793) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is (3R)-N-ethyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name(3R)-N-ethyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine
PubChem CID135178793
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name(3R)-N-ethyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine
SMILESCCNCC[C@@H](Oc1cccc2ncccc12)c1cccs1
InChIInChI=1S/C18H20N2OS/c1-2-19-12-10-17(18-9-5-13-22-18)21-16-8-3-7-15-14(16)6-4-11-20-15/h3-9,11,13,17,19H,2,10,12H2,1H3/t17-/m1/s1
InChIKeyWEWQQKCEOUCLAO-QGZVFWFLSA-N
XLogP4.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R)-N-ethyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-naphthalen-1-yloxy-N-(1-phenylethyl)-3-thiophen-2-ylpropan-1-amine
CID 151174384
N-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 138738442
N-propyl-3-quinolin-5-yloxybutan-2-amine
CID 103044558
(3S)-3-naphthalen-1-yloxy-3-thiophen-2-yl-N-(trideuteriomethyl)propan-1-amine;hydrochloride
CID 57383548
(3R)-3-isoquinolin-5-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 135145347
3-methyl-N-(2-quinolin-5-yloxyethyl)butan-1-amine
CID 103045848
(3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-N-ethyl-3-phenylpropan-1-amine
CID 122581769
ethane;N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide
CID 144673562
N-(2-methylpropyl)-2-quinolin-5-yloxypentan-1-amine
CID 103045732
N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 159846692
[2-methoxy-5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-1-yl] sulfate
CID 91932980
(Z)-but-2-enedioic acid;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 23649462

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of (3R)-N-ethyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine (CID 135178793) is (3R)-N-ethyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for (3R)-N-ethyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for (3R)-N-ethyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine is CCNCC[C@@H](Oc1cccc2ncccc12)c1cccs1.
What is the InChIKey of (3R)-N-ethyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine?
The InChIKey is WEWQQKCEOUCLAO-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-2-19-12-10-17(18-9-5-13-22-18)21-16-8-3-7-15-14(16)6-4-11-20-15/h3-9,11,13,17,19H,2,10,12H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-N-ethyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine?
(3R)-N-ethyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine has a molecular weight of 312.44 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-3-quinolin-5-yloxy-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 135178793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).