6-methoxy-2-pentylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine

C16H25NOS — CID 107762876

IUPAC6-methoxy-2-pentylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCCCSC1CCc2cc(OC)ccc2C1N
InChIInChI=1S/C16H25NOS/c1-3-4-5-10-19-15-9-6-12-11-13(18-2)7-8-14(12)16(15)17/h7-8,11,15-16H,3-6,9-10,17H2,1-2H3
InChIKeyJZWZAFGEAPWGJH-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.93
Rot. Bonds6

About 6-methoxy-2-pentylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine

6-methoxy-2-pentylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 107762876) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 6-methoxy-2-pentylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-methoxy-2-pentylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID107762876
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name6-methoxy-2-pentylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCCCSC1CCc2cc(OC)ccc2C1N
InChIInChI=1S/C16H25NOS/c1-3-4-5-10-19-15-9-6-12-11-13(18-2)7-8-14(12)16(15)17/h7-8,11,15-16H,3-6,9-10,17H2,1-2H3
InChIKeyJZWZAFGEAPWGJH-UHFFFAOYSA-N
XLogP3.93
TPSA35.25 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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butan-2-ylsulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64612568
6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64619980
N-ethyl-6-methoxy-2-propylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64614896
6-methoxy-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64649458
2-(4-bromophenyl)sulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64612644
3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol
CID 66127727
6-methoxy-2-pyridin-2-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64647734
6-methoxy-2-N-propan-2-yl-2-N-propyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 43269499
2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetamide
CID 114231486
ethyl 2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetate
CID 79248246
2-(cyclopropylmethoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43211668
methyl 3-[[6-methoxy-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propanoate
CID 64615409

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-pentylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-methoxy-2-pentylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 107762876) is 6-methoxy-2-pentylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-methoxy-2-pentylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-methoxy-2-pentylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCCCCSC1CCc2cc(OC)ccc2C1N.
What is the InChIKey of 6-methoxy-2-pentylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is JZWZAFGEAPWGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-3-4-5-10-19-15-9-6-12-11-13(18-2)7-8-14(12)16(15)17/h7-8,11,15-16H,3-6,9-10,17H2,1-2H3.
What are the key properties of 6-methoxy-2-pentylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
6-methoxy-2-pentylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 279.45 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-pentylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 107762876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).