N-(1-ethylsulfanylpropan-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C16H25NOS — CID 115725728

IUPACN-(1-ethylsulfanylpropan-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCSCC(C)NC1CCCc2cc(OC)ccc21
InChIInChI=1S/C16H25NOS/c1-4-19-11-12(2)17-16-7-5-6-13-10-14(18-3)8-9-15(13)16/h8-10,12,16-17H,4-7,11H2,1-3H3
InChIKeyZHVUWVIGGUIIBF-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.80
Rot. Bonds6

About N-(1-ethylsulfanylpropan-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

N-(1-ethylsulfanylpropan-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115725728) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-(1-ethylsulfanylpropan-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(1-ethylsulfanylpropan-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115725728
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-(1-ethylsulfanylpropan-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCSCC(C)NC1CCCc2cc(OC)ccc21
InChIInChI=1S/C16H25NOS/c1-4-19-11-12(2)17-16-7-5-6-13-10-14(18-3)8-9-15(13)16/h8-10,12,16-17H,4-7,11H2,1-3H3
InChIKeyZHVUWVIGGUIIBF-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43190307
6-methoxy-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113262380
N-ethyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 43574212
N-(dicyclopropylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43096402
(2S)-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-methylbutan-1-ol
CID 79253979
ethyl 2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate
CID 61498112
6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63981083
6-methoxy-N-[(1R)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81395323
N-heptan-2-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239668
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
6-methoxy-N-(5-methylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115324453
6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81393164

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115725728) is N-(1-ethylsulfanylpropan-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(1-ethylsulfanylpropan-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(1-ethylsulfanylpropan-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is CCSCC(C)NC1CCCc2cc(OC)ccc21.
What is the InChIKey of N-(1-ethylsulfanylpropan-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ZHVUWVIGGUIIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-4-19-11-12(2)17-16-7-5-6-13-10-14(18-3)8-9-15(13)16/h8-10,12,16-17H,4-7,11H2,1-3H3.
What are the key properties of N-(1-ethylsulfanylpropan-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(1-ethylsulfanylpropan-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 279.45 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylpropan-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115725728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).