(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine

C18H23NOS — CID 146397594

IUPAC(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine
SMILESCN(C)CC[C@H](Oc1cccc2c1CCC2)c1cccs1
InChIInChI=1S/C18H23NOS/c1-19(2)12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-3-8-15(14)16/h4-5,7,9-10,13,17H,3,6,8,11-12H2,1-2H3/t17-/m0/s1
InChIKeyOUBHDHKSRHOVPF-KRWDZBQOSA-N
MW301.46 g/mol
LogP4.31
Rot. Bonds6

About (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine

(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 146397594) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine
PubChem CID146397594
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine
SMILESCN(C)CC[C@H](Oc1cccc2c1CCC2)c1cccs1
InChIInChI=1S/C18H23NOS/c1-19(2)12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-3-8-15(14)16/h4-5,7,9-10,13,17H,3,6,8,11-12H2,1-2H3/t17-/m0/s1
InChIKeyOUBHDHKSRHOVPF-KRWDZBQOSA-N
XLogP4.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine with MolForge

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Related Compounds

(3R)-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine
CID 146387264
N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride
CID 68611917
(3R)-3-(1,3-benzodioxol-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine
CID 141469000
(3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;toluene
CID 158227741
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
(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine
CID 59167065
N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]nitrous amide
CID 169490797
1,3-dimethyl-1,3-bis(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)urea
CID 54756197
(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
(2R,3R)-2,3-bis[(4-methoxybenzoyl)oxy]butanedioic acid;(3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 68591919
N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]carbamoyl iodide
CID 88909271

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine (CID 146397594) is (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine is CN(C)CC[C@H](Oc1cccc2c1CCC2)c1cccs1.
What is the InChIKey of (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is OUBHDHKSRHOVPF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23NOS/c1-19(2)12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-3-8-15(14)16/h4-5,7,9-10,13,17H,3,6,8,11-12H2,1-2H3/t17-/m0/s1.
What are the key properties of (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine?
(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 301.46 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 146397594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).