1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methoxypropan-2-ol

C13H18FNO2 — CID 81338280

IUPAC1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNC1CCc2c(F)cccc21
InChIInChI=1S/C13H18FNO2/c1-17-8-9(16)7-15-13-6-5-10-11(13)3-2-4-12(10)14/h2-4,9,13,15-16H,5-8H2,1H3
InChIKeyCDDGPZABXQKXRW-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.41
Rot. Bonds5

About 1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methoxypropan-2-ol

1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methoxypropan-2-ol (PubChem CID 81338280) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methoxypropan-2-ol
PubChem CID81338280
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNC1CCc2c(F)cccc21
InChIInChI=1S/C13H18FNO2/c1-17-8-9(16)7-15-13-6-5-10-11(13)3-2-4-12(10)14/h2-4,9,13,15-16H,5-8H2,1H3
InChIKeyCDDGPZABXQKXRW-UHFFFAOYSA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methoxypropan-2-ol with MolForge

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Related Compounds

4-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79490334
1,1,1-trifluoro-3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 113260457
4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 102904112
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-3-ol
CID 113262785
4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-1-ol
CID 81343552
1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111861110
N-[(4-ethylcyclohexyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065498
4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
2-N-cyclopropyl-1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N-methylpropane-1,2-diamine
CID 103781629
(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114987002
1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 81296468
4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79492992

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methoxypropan-2-ol (CID 81338280) is 1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methoxypropan-2-ol is COCC(O)CNC1CCc2c(F)cccc21.
What is the InChIKey of 1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methoxypropan-2-ol?
The InChIKey is CDDGPZABXQKXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-17-8-9(16)7-15-13-6-5-10-11(13)3-2-4-12(10)14/h2-4,9,13,15-16H,5-8H2,1H3.
What are the key properties of 1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methoxypropan-2-ol?
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methoxypropan-2-ol has a molecular weight of 239.29 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 81338280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).