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

C12H16FNO — CID 114987002

IUPAC(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
SMILESC[C@H](CO)NC1CCc2c(F)cccc21
InChIInChI=1S/C12H16FNO/c1-8(7-15)14-12-6-5-9-10(12)3-2-4-11(9)13/h2-4,8,12,14-15H,5-7H2,1H3/t8-,12?/m1/s1
InChIKeyFZSRFLCBYUQFBB-SZSXPDSJSA-N
MW209.26 g/mol
LogP1.78
Rot. Bonds3

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

(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol (PubChem CID 114987002) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
PubChem CID114987002
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
SMILESC[C@H](CO)NC1CCc2c(F)cccc21
InChIInChI=1S/C12H16FNO/c1-8(7-15)14-12-6-5-9-10(12)3-2-4-11(9)13/h2-4,8,12,14-15H,5-7H2,1H3/t8-,12?/m1/s1
InChIKeyFZSRFLCBYUQFBB-SZSXPDSJSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(4-methylsulfinylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 113348816
3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol
CID 103785152
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 78956060
(2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
CID 103784055
(2R)-2-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 103845683
4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 83067010
4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79492992
N-[1-(2,4-difluorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 78956202
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83066315
(2R)-2-[(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 103778592
N-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065507
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide
CID 81327848

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol?
The IUPAC name of (2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol (CID 114987002) is (2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol?
The canonical SMILES for (2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol is C[C@H](CO)NC1CCc2c(F)cccc21.
What is the InChIKey of (2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol?
The InChIKey is FZSRFLCBYUQFBB-SZSXPDSJSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8(7-15)14-12-6-5-9-10(12)3-2-4-11(9)13/h2-4,8,12,14-15H,5-7H2,1H3/t8-,12?/m1/s1.
What are the key properties of (2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol?
(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol has a molecular weight of 209.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol is sourced from PubChem (CID 114987002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).