3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol

C16H25NO2 — CID 111333716

IUPAC3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol
SMILESCOCCCN(CCCO)C1CCc2ccccc21
InChIInChI=1S/C16H25NO2/c1-19-13-5-11-17(10-4-12-18)16-9-8-14-6-2-3-7-15(14)16/h2-3,6-7,16,18H,4-5,8-13H2,1H3
InChIKeyQHOWCNLDDHPQSJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.39
Rot. Bonds8

About 3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol

3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol (PubChem CID 111333716) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol
PubChem CID111333716
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol
SMILESCOCCCN(CCCO)C1CCc2ccccc21
InChIInChI=1S/C16H25NO2/c1-19-13-5-11-17(10-4-12-18)16-9-8-14-6-2-3-7-15(14)16/h2-3,6-7,16,18H,4-5,8-13H2,1H3
InChIKeyQHOWCNLDDHPQSJ-UHFFFAOYSA-N
XLogP2.39
TPSA32.70 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 ≤ 52.39
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

3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 111799443
3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724
3-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]propan-1-ol
CID 119931689
(1S)-N-cyclopropyl-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 95164534
2,3-dihydro-1H-inden-1-yl(2-methoxyethoxy)carbamic acid
CID 122658030
2-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]-N-methyl-N-phenylacetamide
CID 111332362
1-[2-[3-hydroxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]pyrrolidine-2,5-dione
CID 111799408
3-[2,3-dihydro-1H-inden-1-yl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol
CID 111496463
3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 167833665
2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 111333650
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 37058374
tert-butyl 3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanoate
CID 111799360

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol?
The IUPAC name of 3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol (CID 111333716) is 3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol.
What is the SMILES notation for 3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol?
The canonical SMILES for 3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol is COCCCN(CCCO)C1CCc2ccccc21.
What is the InChIKey of 3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol?
The InChIKey is QHOWCNLDDHPQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-19-13-5-11-17(10-4-12-18)16-9-8-14-6-2-3-7-15(14)16/h2-3,6-7,16,18H,4-5,8-13H2,1H3.
What are the key properties of 3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol?
3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol is sourced from PubChem (CID 111333716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).