1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine

C18H29NO — CID 105152352

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
SMILESCCNC(COC(C)(C)C)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H29NO/c1-5-19-17(13-20-18(2,3)4)12-14-9-10-15-7-6-8-16(15)11-14/h9-11,17,19H,5-8,12-13H2,1-4H3
InChIKeyYXYVBVQSBKIEQR-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.51
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine

1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine (PubChem CID 105152352) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
PubChem CID105152352
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
SMILESCCNC(COC(C)(C)C)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H29NO/c1-5-19-17(13-20-18(2,3)4)12-14-9-10-15-7-6-8-16(15)11-14/h9-11,17,19H,5-8,12-13H2,1-4H3
InChIKeyYXYVBVQSBKIEQR-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine with MolForge

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-methoxy-4-methylpentan-2-amine
CID 105152389
1-(2,3-dihydro-1H-inden-5-yl)-5-ethoxy-N-ethylpentan-2-amine
CID 105152368
N-ethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-2-amine
CID 62038734
1-(3,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105176044
1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-methoxypropan-2-amine
CID 116722394
1-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-3-methoxypropan-2-amine
CID 107506688
1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanyl-N-methylpropan-2-amine
CID 65128332
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(propan-2-ylamino)butanoate
CID 82351467
[1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225261
2-(2,3-dihydro-1H-inden-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 115864905
3-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244662

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine (CID 105152352) is 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine is CCNC(COC(C)(C)C)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
The InChIKey is YXYVBVQSBKIEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-19-17(13-20-18(2,3)4)12-14-9-10-15-7-6-8-16(15)11-14/h9-11,17,19H,5-8,12-13H2,1-4H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine is sourced from PubChem (CID 105152352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).