2-(2-ethoxyethoxy)-6-methoxy-N-propyl-2,3-dihydro-1H-inden-1-amine

C17H27NO3 — CID 79371140

IUPAC2-(2-ethoxyethoxy)-6-methoxy-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2cc(OC)ccc2CC1OCCOCC
InChIInChI=1S/C17H27NO3/c1-4-8-18-17-15-12-14(19-3)7-6-13(15)11-16(17)21-10-9-20-5-2/h6-7,12,16-18H,4-5,8-11H2,1-3H3
InChIKeyWWWCBGHARNDYEV-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.71
Rot. Bonds9

About 2-(2-ethoxyethoxy)-6-methoxy-N-propyl-2,3-dihydro-1H-inden-1-amine

2-(2-ethoxyethoxy)-6-methoxy-N-propyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 79371140) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-6-methoxy-N-propyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-6-methoxy-N-propyl-2,3-dihydro-1H-inden-1-amine
PubChem CID79371140
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-(2-ethoxyethoxy)-6-methoxy-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2cc(OC)ccc2CC1OCCOCC
InChIInChI=1S/C17H27NO3/c1-4-8-18-17-15-12-14(19-3)7-6-13(15)11-16(17)21-10-9-20-5-2/h6-7,12,16-18H,4-5,8-11H2,1-3H3
InChIKeyWWWCBGHARNDYEV-UHFFFAOYSA-N
XLogP2.71
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-2-(2-methylbutan-2-yloxy)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79371150
2-[2-(2-methoxyethoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 104560782
2-(2-butoxyethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374328
6-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79370659
2-[2-(2-methylpropoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 106447311
6-methoxy-2-(2-methoxyethylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79369092
6-methoxy-2-(3-methylpyrrolidin-1-yl)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79370654
6-methoxy-2-propan-2-ylsulfinyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79368758
6-methoxy-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 79369397
N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367214
N-ethyl-7-methoxy-2-(3-methoxypropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79235470
2-(2,2-difluoroethoxy)-6-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82006055

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-6-methoxy-N-propyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(2-ethoxyethoxy)-6-methoxy-N-propyl-2,3-dihydro-1H-inden-1-amine (CID 79371140) is 2-(2-ethoxyethoxy)-6-methoxy-N-propyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(2-ethoxyethoxy)-6-methoxy-N-propyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(2-ethoxyethoxy)-6-methoxy-N-propyl-2,3-dihydro-1H-inden-1-amine is CCCNC1c2cc(OC)ccc2CC1OCCOCC.
What is the InChIKey of 2-(2-ethoxyethoxy)-6-methoxy-N-propyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is WWWCBGHARNDYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-8-18-17-15-12-14(19-3)7-6-13(15)11-16(17)21-10-9-20-5-2/h6-7,12,16-18H,4-5,8-11H2,1-3H3.
What are the key properties of 2-(2-ethoxyethoxy)-6-methoxy-N-propyl-2,3-dihydro-1H-inden-1-amine?
2-(2-ethoxyethoxy)-6-methoxy-N-propyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 293.41 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-6-methoxy-N-propyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79371140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).