7-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C16H23NOS — CID 103901402

IUPAC7-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC=CCSCCNC1CCc2ccc(OC)cc2C1
InChIInChI=1S/C16H23NOS/c1-3-9-19-10-8-17-15-6-4-13-5-7-16(18-2)12-14(13)11-15/h3,5,7,12,15,17H,1,4,6,8-11H2,2H3
InChIKeySAKALEIDIOEEKU-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.06
Rot. Bonds7

About 7-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

7-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 103901402) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 7-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name7-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID103901402
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name7-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC=CCSCCNC1CCc2ccc(OC)cc2C1
InChIInChI=1S/C16H23NOS/c1-3-9-19-10-8-17-15-6-4-13-5-7-16(18-2)12-14(13)11-15/h3,5,7,12,15,17H,1,4,6,8-11H2,2H3
InChIKeySAKALEIDIOEEKU-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
CID 103901315
1-[2-[[(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethylsulfanyl]-2-methylpropan-2-ol
CID 97326402
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115510402
N-(3-fluoropropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 75441597
7-methoxy-N-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510465
N-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide
CID 115510319
N-[2-(cyclopropylmethoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103845697
7-methoxy-N-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510457
N-(2-cyclopentyloxyethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510529
4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2,2-dimethylbutanoic acid
CID 122127288
3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N,N-dimethylpropanamide
CID 115510410

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 7-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 103901402) is 7-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 7-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 7-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is C=CCSCCNC1CCc2ccc(OC)cc2C1.
What is the InChIKey of 7-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is SAKALEIDIOEEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-3-9-19-10-8-17-15-6-4-13-5-7-16(18-2)12-14(13)11-15/h3,5,7,12,15,17H,1,4,6,8-11H2,2H3.
What are the key properties of 7-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
7-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 277.43 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 103901402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).