7-methoxy-N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C17H21NOS — CID 115510616

IUPAC7-methoxy-N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NCc1cscc1C)CC2
InChIInChI=1S/C17H21NOS/c1-12-10-20-11-15(12)9-18-16-5-3-13-4-6-17(19-2)8-14(13)7-16/h4,6,8,10-11,16,18H,3,5,7,9H2,1-2H3
InChIKeyURELZOLOYWDSIZ-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.71
Rot. Bonds4

About 7-methoxy-N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

7-methoxy-N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 115510616) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 7-methoxy-N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name7-methoxy-N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID115510616
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name7-methoxy-N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NCc1cscc1C)CC2
InChIInChI=1S/C17H21NOS/c1-12-10-20-11-15(12)9-18-16-5-3-13-4-6-17(19-2)8-14(13)7-16/h4,6,8,10-11,16,18H,3,5,7,9H2,1-2H3
InChIKeyURELZOLOYWDSIZ-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine with MolForge

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Related Compounds

7-methoxy-N-[(4-methyl-3-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 114955055
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-bromothiophen-2-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510619
N-(furan-2-ylmethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510207
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510599
7-methoxy-N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510271
N-(3-fluoropropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 75441597
N-[2-(5-chlorothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103845688
7-methoxy-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510305
7-methoxy-N-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510465
(2R)-7-methoxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 97108117

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 7-methoxy-N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 115510616) is 7-methoxy-N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 7-methoxy-N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 7-methoxy-N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc2c(c1)CC(NCc1cscc1C)CC2.
What is the InChIKey of 7-methoxy-N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is URELZOLOYWDSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-12-10-20-11-15(12)9-18-16-5-3-13-4-6-17(19-2)8-14(13)7-16/h4,6,8,10-11,16,18H,3,5,7,9H2,1-2H3.
What are the key properties of 7-methoxy-N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
7-methoxy-N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 287.43 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 115510616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).