(3R)-3-(1,3-benzodioxol-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine

C16H19NO3S — CID 141469000

IUPAC(3R)-3-(1,3-benzodioxol-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine
SMILESCN(C)CC[C@@H](Oc1cccc2c1OCO2)c1cccs1
InChIInChI=1S/C16H19NO3S/c1-17(2)9-8-12(15-7-4-10-21-15)20-14-6-3-5-13-16(14)19-11-18-13/h3-7,10,12H,8-9,11H2,1-2H3/t12-/m1/s1
InChIKeyWCXHJAPANPXSBH-GFCCVEGCSA-N
MW305.40 g/mol
LogP3.55
Rot. Bonds6

About (3R)-3-(1,3-benzodioxol-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine

(3R)-3-(1,3-benzodioxol-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 141469000) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is (3R)-3-(1,3-benzodioxol-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name(3R)-3-(1,3-benzodioxol-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine
PubChem CID141469000
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name(3R)-3-(1,3-benzodioxol-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine
SMILESCN(C)CC[C@@H](Oc1cccc2c1OCO2)c1cccs1
InChIInChI=1S/C16H19NO3S/c1-17(2)9-8-12(15-7-4-10-21-15)20-14-6-3-5-13-16(14)19-11-18-13/h3-7,10,12H,8-9,11H2,1-2H3/t12-/m1/s1
InChIKeyWCXHJAPANPXSBH-GFCCVEGCSA-N
XLogP3.55
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzodioxol-4-yloxy)-3-(4-fluorophenyl)-N,N-dimethylpropan-1-amine
CID 121445232
3-(1,3-benzodioxol-4-yloxy)-3-(4-chlorophenyl)-N,N-dimethylpropan-1-amine
CID 121445233
3-(1,3-benzodioxol-4-yloxy)-3-(3,4-dimethylphenyl)-N,N-dimethylpropan-1-amine
CID 145108413
(3R)-3-(1,3-benzodioxol-4-yloxy)-N-methyl-3-thiophen-2-ylpropan-1-amine;benzoic acid
CID 71582178
N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride
CID 68611917
(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine
CID 146397594
(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)-3-(1,3-benzodioxol-4-yloxy)-3-(5-bromothiophen-2-yl)propan-1-amine
CID 175576305
N'-(1,3-benzodioxol-4-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43583717
N-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 138738442
N-methyl-N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]nitrous amide
CID 169490797

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1,3-benzodioxol-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of (3R)-3-(1,3-benzodioxol-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine (CID 141469000) is (3R)-3-(1,3-benzodioxol-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for (3R)-3-(1,3-benzodioxol-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for (3R)-3-(1,3-benzodioxol-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine is CN(C)CC[C@@H](Oc1cccc2c1OCO2)c1cccs1.
What is the InChIKey of (3R)-3-(1,3-benzodioxol-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is WCXHJAPANPXSBH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-17(2)9-8-12(15-7-4-10-21-15)20-14-6-3-5-13-16(14)19-11-18-13/h3-7,10,12H,8-9,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-3-(1,3-benzodioxol-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine?
(3R)-3-(1,3-benzodioxol-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 305.40 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1,3-benzodioxol-4-yloxy)-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 141469000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).