(3R)-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine

C18H23NOS — CID 146387264

IUPAC(3R)-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine
SMILESCNCC[C@@H](Oc1cccc2c1CCCC2)c1cccs1
InChIInChI=1S/C18H23NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h4-5,7,9-10,13,17,19H,2-3,6,8,11-12H2,1H3/t17-/m1/s1
InChIKeyPLTVZUOUOJGVBN-QGZVFWFLSA-N
MW301.45 g/mol
LogP4.36
Rot. Bonds6

About (3R)-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine

(3R)-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine (PubChem CID 146387264) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is (3R)-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name(3R)-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine
PubChem CID146387264
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC Name(3R)-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine
SMILESCNCC[C@@H](Oc1cccc2c1CCCC2)c1cccs1
InChIInChI=1S/C18H23NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h4-5,7,9-10,13,17,19H,2-3,6,8,11-12H2,1H3/t17-/m1/s1
InChIKeyPLTVZUOUOJGVBN-QGZVFWFLSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine with MolForge

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Related Compounds

(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine
CID 146397594
(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine
CID 146397496
(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine;sulfane
CID 165109071
3-(1-benzofuran-7-yloxy)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine;3-(1-benzofuran-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine
CID 158180525
N-methyl-3-[2-[2-(methylamino)ethyl]phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 138738146
acetic acid;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 67283492
(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;oxalic acid
CID 11639633
N-methyl-3-[2-[2-(4-methylpiperazin-1-yl)ethyl]phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 146309029
2-[4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethanol
CID 90229934
(3R)-3-isoquinolin-5-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 135145347
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
3-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 138560331

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of (3R)-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine (CID 146387264) is (3R)-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for (3R)-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for (3R)-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine is CNCC[C@@H](Oc1cccc2c1CCCC2)c1cccs1.
What is the InChIKey of (3R)-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is PLTVZUOUOJGVBN-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h4-5,7,9-10,13,17,19H,2-3,6,8,11-12H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine?
(3R)-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 301.45 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 146387264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).