(3S)-N-benzyl-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine

C25H25NOS — CID 25068563

IUPAC(3S)-N-benzyl-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
SMILESCN(CC[C@H](Oc1cccc2ccccc12)c1cccs1)Cc1ccccc1
InChIInChI=1S/C25H25NOS/c1-26(19-20-9-3-2-4-10-20)17-16-24(25-15-8-18-28-25)27-23-14-7-12-21-11-5-6-13-22(21)23/h2-15,18,24H,16-17,19H2,1H3/t24-/m0/s1
InChIKeyACCQWVWDTSTAHM-DEOSSOPVSA-N
MW387.55 g/mol
LogP6.54
Rot. Bonds8

About (3S)-N-benzyl-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine

(3S)-N-benzyl-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine (PubChem CID 25068563) has the molecular formula C25H25NOS and a molecular weight of 387.55 g/mol. Its IUPAC name is (3S)-N-benzyl-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name(3S)-N-benzyl-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
PubChem CID25068563
Molecular FormulaC25H25NOS
Molecular Weight387.55 g/mol
Exact Mass387.17
IUPAC Name(3S)-N-benzyl-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
SMILESCN(CC[C@H](Oc1cccc2ccccc12)c1cccs1)Cc1ccccc1
InChIInChI=1S/C25H25NOS/c1-26(19-20-9-3-2-4-10-20)17-16-24(25-15-8-18-28-25)27-23-14-7-12-21-11-5-6-13-22(21)23/h2-15,18,24H,16-17,19H2,1H3/t24-/m0/s1
InChIKeyACCQWVWDTSTAHM-DEOSSOPVSA-N
XLogP6.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.55
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-N-benzyl-N-methyl-3-naphthalen-1-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

Duloxetine
CID 60835
Duloxetine Hydrochloride
CID 60834
4-((1S)-3-(Methylamino)-1-(2-thienyl)propoxy)-1-naphthalenol
CID 29981497
(+-)-Duloxetine
CID 122252
5-Hydroxyduloxetine
CID 44344235
(S)-Norduloxetine
CID 10107888
(R)-Duloxetine
CID 10334821
R-Norduloxetine
CID 46227262
(S)-(+)-N,N-Dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine
CID 9818212
Ethyl(3-phenylprop-2-yn-1-yl)[(3-{[4-(thiophen-3-yl)thiophen-2-yl]methoxy}phenyl)methyl]amine
CID 44270471
(2-Benzo[b]thiophen-5-yl-ethyl)-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 10618865
1-(3-Thienyl)-3-(methylamino)propyl 1-naphthyl ether
CID 11855337

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of (3S)-N-benzyl-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine (CID 25068563) is (3S)-N-benzyl-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for (3S)-N-benzyl-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for (3S)-N-benzyl-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine is CN(CC[C@H](Oc1cccc2ccccc12)c1cccs1)Cc1ccccc1.
What is the InChIKey of (3S)-N-benzyl-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine?
The InChIKey is ACCQWVWDTSTAHM-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H25NOS/c1-26(19-20-9-3-2-4-10-20)17-16-24(25-15-8-18-28-25)27-23-14-7-12-21-11-5-6-13-22(21)23/h2-15,18,24H,16-17,19H2,1H3/t24-/m0/s1.
What are the key properties of (3S)-N-benzyl-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine?
(3S)-N-benzyl-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine has a molecular weight of 387.55 g/mol, XLogP of 6.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 25068563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).