N-methyl-3-thiophen-2-yl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine

C19H18F3NOS — CID 15015309

IUPACN-methyl-3-thiophen-2-yl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine
SMILESCNCCC(Oc1ccc(C(F)(F)F)c2ccccc12)c1cccs1
InChIInChI=1S/C19H18F3NOS/c1-23-11-10-17(18-7-4-12-25-18)24-16-9-8-15(19(20,21)22)13-5-2-3-6-14(13)16/h2-9,12,17,23H,10-11H2,1H3
InChIKeyVPWQIPHUCXESOW-UHFFFAOYSA-N
MW365.42 g/mol
LogP5.65
Rot. Bonds6

About N-methyl-3-thiophen-2-yl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine

N-methyl-3-thiophen-2-yl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine (PubChem CID 15015309) has the molecular formula C19H18F3NOS and a molecular weight of 365.42 g/mol. Its IUPAC name is N-methyl-3-thiophen-2-yl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-thiophen-2-yl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine
PubChem CID15015309
Molecular FormulaC19H18F3NOS
Molecular Weight365.42 g/mol
Exact Mass365.11
IUPAC NameN-methyl-3-thiophen-2-yl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine
SMILESCNCCC(Oc1ccc(C(F)(F)F)c2ccccc12)c1cccs1
InChIInChI=1S/C19H18F3NOS/c1-23-11-10-17(18-7-4-12-25-18)24-16-9-8-15(19(20,21)22)13-5-2-3-6-14(13)16/h2-9,12,17,23H,10-11H2,1H3
InChIKeyVPWQIPHUCXESOW-UHFFFAOYSA-N
XLogP5.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.42
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naphthalen-2-ol
CID 10086952
5-Hydroxy-6-methoxy duloxetine
CID 29981679
5-[(1S)-3-(Methylamino)-1-(thiophen-2-yl)propoxy]naphthalene-1,2-diol
CID 44344115
5-Hydroxyduloxetine
CID 44344235
(S)-Norduloxetine
CID 10107888
(R)-Duloxetine
CID 10334821
R-Norduloxetine
CID 46227262
(3S)-3-[(7-fluoro-1-benzothiophen-4-yl)oxy]-N-methyl-3-phenylpropan-1-amine
CID 9903115

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-thiophen-2-yl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine?
The IUPAC name of N-methyl-3-thiophen-2-yl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine (CID 15015309) is N-methyl-3-thiophen-2-yl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine.
What is the SMILES notation for N-methyl-3-thiophen-2-yl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine?
The canonical SMILES for N-methyl-3-thiophen-2-yl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine is CNCCC(Oc1ccc(C(F)(F)F)c2ccccc12)c1cccs1.
What is the InChIKey of N-methyl-3-thiophen-2-yl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine?
The InChIKey is VPWQIPHUCXESOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NOS/c1-23-11-10-17(18-7-4-12-25-18)24-16-9-8-15(19(20,21)22)13-5-2-3-6-14(13)16/h2-9,12,17,23H,10-11H2,1H3.
What are the key properties of N-methyl-3-thiophen-2-yl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine?
N-methyl-3-thiophen-2-yl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine has a molecular weight of 365.42 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-thiophen-2-yl-3-[4-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine is sourced from PubChem (CID 15015309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).