5-(2-ethylhexoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

C18H29NO — CID 65455916

IUPAC5-(2-ethylhexoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCCC(CC)COc1cccc2c1CCCC2N
InChIInChI=1S/C18H29NO/c1-3-5-8-14(4-2)13-20-18-12-7-9-15-16(18)10-6-11-17(15)19/h7,9,12,14,17H,3-6,8,10-11,13,19H2,1-2H3
InChIKeyIVZVTXWXTXJBKQ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.62
Rot. Bonds7

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

5-(2-ethylhexoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 65455916) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 5-(2-ethylhexoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-(2-ethylhexoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID65455916
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name5-(2-ethylhexoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCCC(CC)COc1cccc2c1CCCC2N
InChIInChI=1S/C18H29NO/c1-3-5-8-14(4-2)13-20-18-12-7-9-15-16(18)10-6-11-17(15)19/h7,9,12,14,17H,3-6,8,10-11,13,19H2,1-2H3
InChIKeyIVZVTXWXTXJBKQ-UHFFFAOYSA-N
XLogP4.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113436812
1-(2-ethylhexoxy)-2-[2-(2-ethylhexoxy)-6-methylphenyl]-3-methylbenzene
CID 21028375
4-(2-butoxyethoxy)-2,3-dihydro-1H-inden-1-amine
CID 55182395
5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932
5-[(Z)-3-chloro-2-methylprop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106437029
2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-diethylacetamide
CID 65455345
4-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylbutan-2-ol
CID 79360240
5-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454398
5-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454391
1-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-3-methylbutan-2-ol
CID 114249414
5-[3-(2,2,2-trifluoroethoxy)propoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456111
5-[(4-ethylmorpholin-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79166703

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylhexoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-(2-ethylhexoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 65455916) is 5-(2-ethylhexoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-(2-ethylhexoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-(2-ethylhexoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is CCCCC(CC)COc1cccc2c1CCCC2N.
What is the InChIKey of 5-(2-ethylhexoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is IVZVTXWXTXJBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-5-8-14(4-2)13-20-18-12-7-9-15-16(18)10-6-11-17(15)19/h7,9,12,14,17H,3-6,8,10-11,13,19H2,1-2H3.
What are the key properties of 5-(2-ethylhexoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
5-(2-ethylhexoxy)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylhexoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 65455916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).