7-methoxy-2-(3-methoxypropylsulfanyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C16H25NO2S — CID 79248477

IUPAC7-methoxy-2-(3-methoxypropylsulfanyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2cc(OC)ccc2CCC1SCCCOC
InChIInChI=1S/C16H25NO2S/c1-17-16-14-11-13(19-3)7-5-12(14)6-8-15(16)20-10-4-9-18-2/h5,7,11,15-17H,4,6,8-10H2,1-3H3
InChIKeyFVCOIDCSLIHGCH-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.04
Rot. Bonds7

About 7-methoxy-2-(3-methoxypropylsulfanyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

7-methoxy-2-(3-methoxypropylsulfanyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79248477) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 7-methoxy-2-(3-methoxypropylsulfanyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-methoxy-2-(3-methoxypropylsulfanyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79248477
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name7-methoxy-2-(3-methoxypropylsulfanyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2cc(OC)ccc2CCC1SCCCOC
InChIInChI=1S/C16H25NO2S/c1-17-16-14-11-13(19-3)7-5-12(14)6-8-15(16)20-10-4-9-18-2/h5,7,11,15-17H,4,6,8-10H2,1-3H3
InChIKeyFVCOIDCSLIHGCH-UHFFFAOYSA-N
XLogP3.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol
CID 66127727
7-methoxy-N-methyl-2-(2-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763687
3-[[7-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-2-ol
CID 107772532
7-methoxy-N-methyl-2-(oxan-4-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236733
methyl 3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propanoate
CID 64615409
7-methoxy-N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236526
2-N-(cyclopropylmethyl)-7-methoxy-1-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 79247986
6-methoxy-N-methyl-2-(2-methylsulfonylethylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 79375427
N-ethyl-7-methoxy-2-(3-methoxypropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79235470
3-(3-methoxypropylsulfanyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 64628268
7-methoxy-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79237018
7-methoxy-N-methyl-2-(3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82960676

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(3-methoxypropylsulfanyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-methoxy-2-(3-methoxypropylsulfanyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79248477) is 7-methoxy-2-(3-methoxypropylsulfanyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-methoxy-2-(3-methoxypropylsulfanyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-methoxy-2-(3-methoxypropylsulfanyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2cc(OC)ccc2CCC1SCCCOC.
What is the InChIKey of 7-methoxy-2-(3-methoxypropylsulfanyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is FVCOIDCSLIHGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-17-16-14-11-13(19-3)7-5-12(14)6-8-15(16)20-10-4-9-18-2/h5,7,11,15-17H,4,6,8-10H2,1-3H3.
What are the key properties of 7-methoxy-2-(3-methoxypropylsulfanyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
7-methoxy-2-(3-methoxypropylsulfanyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 295.45 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(3-methoxypropylsulfanyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79248477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).