7-ethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

C16H25NO — CID 115417532

IUPAC7-ethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1CCC(C)c2ccc(OCC)cc21
InChIInChI=1S/C16H25NO/c1-4-10-17-16-9-6-12(3)14-8-7-13(18-5-2)11-15(14)16/h7-8,11-12,16-17H,4-6,9-10H2,1-3H3
InChIKeyUVALEXYDGBNCIF-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.02
Rot. Bonds5

About 7-ethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

7-ethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115417532) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 7-ethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-ethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115417532
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name7-ethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1CCC(C)c2ccc(OCC)cc21
InChIInChI=1S/C16H25NO/c1-4-10-17-16-9-6-12(3)14-8-7-13(18-5-2)11-15(14)16/h7-8,11-12,16-17H,4-6,9-10H2,1-3H3
InChIKeyUVALEXYDGBNCIF-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417608
7-ethyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113305796
(1R)-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417533
6-ethoxy-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine
CID 79837179
3,10-dimethyl-N-propyl-3,4,7,8,9,10-hexahydro-2H-benzo[h][1,5]benzodioxepin-7-amine
CID 115417710
N,N-dimethyl-2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
CID 107683897
ethyl 2-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 107683871
5-[2-(dimethylamino)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 107684000
6-ethyl-3-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 63823010
7-butyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113305756
6-(4-methoxybutoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104647002
5-ethoxy-3-(propylamino)-1,3-dihydroindol-2-one
CID 114991944

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-ethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115417532) is 7-ethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-ethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-ethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCCNC1CCC(C)c2ccc(OCC)cc21.
What is the InChIKey of 7-ethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is UVALEXYDGBNCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-10-17-16-9-6-12(3)14-8-7-13(18-5-2)11-15(14)16/h7-8,11-12,16-17H,4-6,9-10H2,1-3H3.
What are the key properties of 7-ethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
7-ethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 247.38 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115417532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).