5-(3,5-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-1-amine

C18H27NO — CID 65453836

IUPAC5-(3,5-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CC(C)CC(Oc2cccc3c2CCCC3N)C1
InChIInChI=1S/C18H27NO/c1-12-9-13(2)11-14(10-12)20-18-8-4-5-15-16(18)6-3-7-17(15)19/h4-5,8,12-14,17H,3,6-7,9-11,19H2,1-2H3
InChIKeyMETTXWMFIQOKMG-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.23
Rot. Bonds2

About 5-(3,5-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-1-amine

5-(3,5-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 65453836) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 5-(3,5-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-(3,5-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID65453836
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name5-(3,5-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CC(C)CC(Oc2cccc3c2CCCC3N)C1
InChIInChI=1S/C18H27NO/c1-12-9-13(2)11-14(10-12)20-18-8-4-5-15-16(18)6-3-7-17(15)19/h4-5,8,12-14,17H,3,6-7,9-11,19H2,1-2H3
InChIKeyMETTXWMFIQOKMG-UHFFFAOYSA-N
XLogP4.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932
N-methyl-5-(3-methylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455366
5-(5-oxaspiro[3.5]nonan-8-yloxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79900755
4-(oxan-4-yloxy)-2,3-dihydro-1H-inden-1-amine
CID 63936017
5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113436812
(1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 162767640
3-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]azepan-2-one
CID 65456101
5-[(Z)-3-chloro-2-methylprop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106437029
4-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylbutan-2-ol
CID 79360240
5-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454391
2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-diethylacetamide
CID 65455345
(1R)-5-[4-[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 164817442

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-(3,5-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 65453836) is 5-(3,5-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-(3,5-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-(3,5-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-1-amine is CC1CC(C)CC(Oc2cccc3c2CCCC3N)C1.
What is the InChIKey of 5-(3,5-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is METTXWMFIQOKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-12-9-13(2)11-14(10-12)20-18-8-4-5-15-16(18)6-3-7-17(15)19/h4-5,8,12-14,17H,3,6-7,9-11,19H2,1-2H3.
What are the key properties of 5-(3,5-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-1-amine?
5-(3,5-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 65453836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).