[1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol

C16H26N2O — CID 61049623

IUPAC[1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol
SMILESCCN(CC)CCNC1(CO)CCc2ccccc21
InChIInChI=1S/C16H26N2O/c1-3-18(4-2)12-11-17-16(13-19)10-9-14-7-5-6-8-15(14)16/h5-8,17,19H,3-4,9-13H2,1-2H3
InChIKeyFPAHHUYXFRSMQL-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.75
Rot. Bonds7

About [1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol

[1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol (PubChem CID 61049623) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol.

Molecular Properties

Compound Name[1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol
PubChem CID61049623
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol
SMILESCCN(CC)CCNC1(CO)CCc2ccccc21
InChIInChI=1S/C16H26N2O/c1-3-18(4-2)12-11-17-16(13-19)10-9-14-7-5-6-8-15(14)16/h5-8,17,19H,3-4,9-13H2,1-2H3
InChIKeyFPAHHUYXFRSMQL-UHFFFAOYSA-N
XLogP1.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(1S)-1-(9-piperidin-1-ylfluoren-9-yl)ethanol
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[2-(methylamino)-2,3-dihydro-1H-inden-2-yl]methanol
CID 50989041
[1-(methylamino)-2,3-dihydro-1H-inden-1-yl]methanol
CID 50989042
(1S,2R)-1-(methylamino)-2,3-dihydro-1H-inden-2-ol
CID 10511205
2-[[(2R)-3-amino-1,1,1-trifluoro-2-methylpropan-2-yl]amino]-2-[3-[2-(diethylamino)ethyl]phenyl]ethanol
CID 137446743
2-[(3-Amino-1,1,1-trifluoro-2-methylpropan-2-yl)amino]-2-[3-[2-(diethylamino)ethyl]phenyl]ethanol
CID 137446765
US12492163, Name (12)
CID 166858204
N-[9-(hydroxymethyl)fluoren-9-yl]-2-piperidin-1-ylacetamide
CID 164669630
2-(diethylamino)-N-[9-(hydroxymethyl)fluoren-9-yl]acetamide
CID 164669631
2-[2-(Diethylamino)ethylamino]-2-(4-fluoro-2-methylphenyl)ethanol
CID 55038677

Frequently Asked Questions

What is the IUPAC name of [1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol?
The IUPAC name of [1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol (CID 61049623) is [1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol.
What is the SMILES notation for [1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol?
The canonical SMILES for [1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol is CCN(CC)CCNC1(CO)CCc2ccccc21.
What is the InChIKey of [1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol?
The InChIKey is FPAHHUYXFRSMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-18(4-2)12-11-17-16(13-19)10-9-14-7-5-6-8-15(14)16/h5-8,17,19H,3-4,9-13H2,1-2H3.
What are the key properties of [1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol?
[1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol has a molecular weight of 262.40 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol is sourced from PubChem (CID 61049623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).