(1R)-7-(2-ethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

C16H25NO — CID 114091177

IUPAC(1R)-7-(2-ethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCC(CC)COc1ccc2c(c1)[C@H](N)CCC2
InChIInChI=1S/C16H25NO/c1-3-12(4-2)11-18-14-9-8-13-6-5-7-16(17)15(13)10-14/h8-10,12,16H,3-7,11,17H2,1-2H3/t16-/m1/s1
InChIKeyUNQMUIDEUOPTAQ-MRXNPFEDSA-N
MW247.38 g/mol
LogP3.84
Rot. Bonds5

About (1R)-7-(2-ethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-7-(2-ethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 114091177) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1R)-7-(2-ethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-7-(2-ethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID114091177
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1R)-7-(2-ethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCC(CC)COc1ccc2c(c1)[C@H](N)CCC2
InChIInChI=1S/C16H25NO/c1-3-12(4-2)11-18-14-9-8-13-6-5-7-16(17)15(13)10-14/h8-10,12,16H,3-7,11,17H2,1-2H3/t16-/m1/s1
InChIKeyUNQMUIDEUOPTAQ-MRXNPFEDSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62737273
(5S)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014278
2-[(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethanol
CID 103719192
(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71756873
(1R)-7-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114091185
(1S)-7-pent-3-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114091155
(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 21104537
3-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol
CID 82850996
(1R)-1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 55277801
1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 21256693
6-(2-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 80698721
(1S)-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66258441

Frequently Asked Questions

What is the IUPAC name of (1R)-7-(2-ethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-7-(2-ethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 114091177) is (1R)-7-(2-ethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-7-(2-ethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-7-(2-ethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is CCC(CC)COc1ccc2c(c1)[C@H](N)CCC2.
What is the InChIKey of (1R)-7-(2-ethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is UNQMUIDEUOPTAQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-12(4-2)11-18-14-9-8-13-6-5-7-16(17)15(13)10-14/h8-10,12,16H,3-7,11,17H2,1-2H3/t16-/m1/s1.
What are the key properties of (1R)-7-(2-ethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-7-(2-ethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-(2-ethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 114091177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).