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

C17H26N2O — CID 43184261

IUPAC2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCC(N1CCCCCC1)C2N
InChIInChI=1S/C17H26N2O/c1-20-14-7-8-15-13(12-14)6-9-16(17(15)18)19-10-4-2-3-5-11-19/h7-8,12,16-17H,2-6,9-11,18H2,1H3
InChIKeyOJFXBUQZTPXSAJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.89
Rot. Bonds2

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

2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 43184261) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID43184261
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCC(N1CCCCCC1)C2N
InChIInChI=1S/C17H26N2O/c1-20-14-7-8-15-13(12-14)6-9-16(17(15)18)19-10-4-2-3-5-11-19/h7-8,12,16-17H,2-6,9-11,18H2,1H3
InChIKeyOJFXBUQZTPXSAJ-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-2-(4-methylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79234946
7-methoxy-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248446
2-(4,4-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79234485
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115559637
2-(3,5-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79230789
2-cyclohexylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64656390
7-methoxy-2-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247673
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
2-(2,2-dimethylpyrrolidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247674
1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine
CID 54914447
2-(cyclopropylmethoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43211668
6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64619980

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 43184261) is 2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)CCC(N1CCCCCC1)C2N.
What is the InChIKey of 2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is OJFXBUQZTPXSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-20-14-7-8-15-13(12-14)6-9-16(17(15)18)19-10-4-2-3-5-11-19/h7-8,12,16-17H,2-6,9-11,18H2,1H3.
What are the key properties of 2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 274.41 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 43184261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).