3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine

C25H33NOS — CID 58879412

IUPAC3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNCCC(Oc1c(C)c(C)c(C)c2c(C)c(C)c(C)c(C)c12)c1cccs1
InChIInChI=1S/C25H33NOS/c1-14-15(2)19(6)24-23(17(14)4)18(5)16(3)20(7)25(24)27-21(11-12-26-8)22-10-9-13-28-22/h9-10,13,21,26H,11-12H2,1-8H3
InChIKeyYAVFVDLFWYGPGI-UHFFFAOYSA-N
MW395.61 g/mol
LogP6.79
Rot. Bonds6

About 3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine

3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 58879412) has the molecular formula C25H33NOS and a molecular weight of 395.61 g/mol. Its IUPAC name is 3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine
PubChem CID58879412
Molecular FormulaC25H33NOS
Molecular Weight395.61 g/mol
Exact Mass395.23
IUPAC Name3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNCCC(Oc1c(C)c(C)c(C)c2c(C)c(C)c(C)c(C)c12)c1cccs1
InChIInChI=1S/C25H33NOS/c1-14-15(2)19(6)24-23(17(14)4)18(5)16(3)20(7)25(24)27-21(11-12-26-8)22-10-9-13-28-22/h9-10,13,21,26H,11-12H2,1-8H3
InChIKeyYAVFVDLFWYGPGI-UHFFFAOYSA-N
XLogP6.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.61
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[2-[2-(methylamino)ethyl]phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 138738146
3-(4-chloronaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 15015312
2-[4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethanol
CID 90229934
3-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 46781438
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-[4-(2-methylbutyl)phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 146420156
2,3,5,6,7,8-hexadeuterio-4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-1-ol
CID 71748970
(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
(4S)-N-tert-butyl-2,3,3-trimethyl-4-(4-methylnaphthalen-1-yl)oxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;(4S)-N-tert-butyl-2,3,3-trimethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine;3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine;2-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)propan-2-amine;(4S)-N,2,3,3-tetramethyl-4-naphthalen-1-yloxy-4-(3,4,5-trimethylthiophen-2-yl)pentan-2-amine
CID 157243006
(3R)-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-thiophen-2-ylpropan-1-amine
CID 146387264

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine (CID 58879412) is 3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine is CNCCC(Oc1c(C)c(C)c(C)c2c(C)c(C)c(C)c(C)c12)c1cccs1.
What is the InChIKey of 3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is YAVFVDLFWYGPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NOS/c1-14-15(2)19(6)24-23(17(14)4)18(5)16(3)20(7)25(24)27-21(11-12-26-8)22-10-9-13-28-22/h9-10,13,21,26H,11-12H2,1-8H3.
What are the key properties of 3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine?
3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 395.61 g/mol, XLogP of 6.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 58879412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).