4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclohexan-1-amine

C17H25NO — CID 61398789

IUPAC4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclohexan-1-amine
SMILESCC1CCC(N)C(Oc2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C17H25NO/c1-12-6-9-16(18)17(10-12)19-15-8-7-13-4-2-3-5-14(13)11-15/h7-8,11-12,16-17H,2-6,9-10,18H2,1H3
InChIKeyXRNHVYRPMFFAQR-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.46
Rot. Bonds2

About 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclohexan-1-amine

4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclohexan-1-amine (PubChem CID 61398789) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclohexan-1-amine
PubChem CID61398789
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclohexan-1-amine
SMILESCC1CCC(N)C(Oc2ccc3c(c2)CCCC3)C1
InChIInChI=1S/C17H25NO/c1-12-6-9-16(18)17(10-12)19-15-8-7-13-4-2-3-5-14(13)11-15/h7-8,11-12,16-17H,2-6,9-10,18H2,1H3
InChIKeyXRNHVYRPMFFAQR-UHFFFAOYSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclohexan-1-amine?
The IUPAC name of 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclohexan-1-amine (CID 61398789) is 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclohexan-1-amine is CC1CCC(N)C(Oc2ccc3c(c2)CCCC3)C1.
What is the InChIKey of 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclohexan-1-amine?
The InChIKey is XRNHVYRPMFFAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-6-9-16(18)17(10-12)19-15-8-7-13-4-2-3-5-14(13)11-15/h7-8,11-12,16-17H,2-6,9-10,18H2,1H3.
What are the key properties of 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclohexan-1-amine?
4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclohexan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclohexan-1-amine is sourced from PubChem (CID 61398789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).