2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxy-N-propylpropan-1-amine

C16H25NO2 — CID 103228424

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNCC(COC)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NO2/c1-3-9-17-11-16(12-18-2)19-15-8-7-13-5-4-6-14(13)10-15/h7-8,10,16-17H,3-6,9,11-12H2,1-2H3
InChIKeyHQLPKLZTHWEGNW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.57
Rot. Bonds8

About 2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxy-N-propylpropan-1-amine

2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxy-N-propylpropan-1-amine (PubChem CID 103228424) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxy-N-propylpropan-1-amine
PubChem CID103228424
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNCC(COC)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NO2/c1-3-9-17-11-16(12-18-2)19-15-8-7-13-5-4-6-14(13)10-15/h7-8,10,16-17H,3-6,9,11-12H2,1-2H3
InChIKeyHQLPKLZTHWEGNW-UHFFFAOYSA-N
XLogP2.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103228429
N-[3-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-2-methylpropan-2-amine
CID 103228618
3-methyl-N-propyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 63496310
3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propylpropan-1-amine
CID 62459278
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(propylamino)propan-2-ol
CID 43166218
N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 62583134
5-(2,3-dihydro-1H-inden-5-yloxy)-N-propylpentan-1-amine
CID 55077053
N-tert-butyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-1-amine
CID 83048915
1-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-3-methoxypropan-2-amine
CID 107506688
N-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 88611694
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentyl]cyclopropanamine
CID 83044892
N-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 62486153

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxy-N-propylpropan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxy-N-propylpropan-1-amine (CID 103228424) is 2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxy-N-propylpropan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxy-N-propylpropan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxy-N-propylpropan-1-amine is CCCNCC(COC)Oc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxy-N-propylpropan-1-amine?
The InChIKey is HQLPKLZTHWEGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-9-17-11-16(12-18-2)19-15-8-7-13-5-4-6-14(13)10-15/h7-8,10,16-17H,3-6,9,11-12H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxy-N-propylpropan-1-amine?
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxy-N-propylpropan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxy-N-propylpropan-1-amine is sourced from PubChem (CID 103228424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).