1-(2,3-dihydro-1H-inden-5-yl)-5-ethoxy-N-ethylpentan-2-amine

C18H29NO — CID 105152368

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-5-ethoxy-N-ethylpentan-2-amine
SMILESCCNC(CCCOCC)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H29NO/c1-3-19-18(9-6-12-20-4-2)14-15-10-11-16-7-5-8-17(16)13-15/h10-11,13,18-19H,3-9,12,14H2,1-2H3
InChIKeyFMJCGOCOWWDQFX-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.51
Rot. Bonds9

About 1-(2,3-dihydro-1H-inden-5-yl)-5-ethoxy-N-ethylpentan-2-amine

1-(2,3-dihydro-1H-inden-5-yl)-5-ethoxy-N-ethylpentan-2-amine (PubChem CID 105152368) 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)-5-ethoxy-N-ethylpentan-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-5-ethoxy-N-ethylpentan-2-amine
PubChem CID105152368
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-5-ethoxy-N-ethylpentan-2-amine
SMILESCCNC(CCCOCC)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H29NO/c1-3-19-18(9-6-12-20-4-2)14-15-10-11-16-7-5-8-17(16)13-15/h10-11,13,18-19H,3-9,12,14H2,1-2H3
InChIKeyFMJCGOCOWWDQFX-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105152352
1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 62604166
N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 62583134
1-(3,4-dimethylphenyl)-N-ethyl-5-methoxypentan-2-amine
CID 55132596
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylhexan-3-amine
CID 106808314
1-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-3-methoxypropan-2-amine
CID 107506688
1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-1-methoxypropan-2-amine
CID 116722394
N-ethyl-1-(4-ethylphenyl)-5-methoxypentan-2-amine
CID 65091874
N-ethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-2-amine
CID 62038734
1-(2,3-dihydro-1H-inden-5-yl)-5-methoxypentan-2-amine
CID 65092625
1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine
CID 105132456

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-5-ethoxy-N-ethylpentan-2-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-5-ethoxy-N-ethylpentan-2-amine (CID 105152368) is 1-(2,3-dihydro-1H-inden-5-yl)-5-ethoxy-N-ethylpentan-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-5-ethoxy-N-ethylpentan-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-5-ethoxy-N-ethylpentan-2-amine is CCNC(CCCOCC)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-5-ethoxy-N-ethylpentan-2-amine?
The InChIKey is FMJCGOCOWWDQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-19-18(9-6-12-20-4-2)14-15-10-11-16-7-5-8-17(16)13-15/h10-11,13,18-19H,3-9,12,14H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-5-ethoxy-N-ethylpentan-2-amine?
1-(2,3-dihydro-1H-inden-5-yl)-5-ethoxy-N-ethylpentan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.51, 9 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)-5-ethoxy-N-ethylpentan-2-amine is sourced from PubChem (CID 105152368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).