(2S)-1-(cyclopropylmethoxy)-3-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol

C16H22FNO2 — CID 97231142

IUPAC(2S)-1-(cyclopropylmethoxy)-3-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
SMILESO[C@@H](CN[C@H]1CCc2ccc(F)cc21)COCC1CC1
InChIInChI=1S/C16H22FNO2/c17-13-5-3-12-4-6-16(15(12)7-13)18-8-14(19)10-20-9-11-1-2-11/h3,5,7,11,14,16,18-19H,1-2,4,6,8-10H2/t14-,16-/m0/s1
InChIKeyUBSFONVLXLSTMW-HOCLYGCPSA-N
MW279.35 g/mol
LogP2.19
Rot. Bonds7

About (2S)-1-(cyclopropylmethoxy)-3-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol

(2S)-1-(cyclopropylmethoxy)-3-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol (PubChem CID 97231142) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is (2S)-1-(cyclopropylmethoxy)-3-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(cyclopropylmethoxy)-3-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
PubChem CID97231142
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name(2S)-1-(cyclopropylmethoxy)-3-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
SMILESO[C@@H](CN[C@H]1CCc2ccc(F)cc21)COCC1CC1
InChIInChI=1S/C16H22FNO2/c17-13-5-3-12-4-6-16(15(12)7-13)18-8-14(19)10-20-9-11-1-2-11/h3,5,7,11,14,16,18-19H,1-2,4,6,8-10H2/t14-,16-/m0/s1
InChIKeyUBSFONVLXLSTMW-HOCLYGCPSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(cyclopropylmethoxy)-3-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclopropylmethoxy)-3-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol?
The IUPAC name of (2S)-1-(cyclopropylmethoxy)-3-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol (CID 97231142) is (2S)-1-(cyclopropylmethoxy)-3-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-(cyclopropylmethoxy)-3-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-(cyclopropylmethoxy)-3-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol is O[C@@H](CN[C@H]1CCc2ccc(F)cc21)COCC1CC1.
What is the InChIKey of (2S)-1-(cyclopropylmethoxy)-3-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol?
The InChIKey is UBSFONVLXLSTMW-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H22FNO2/c17-13-5-3-12-4-6-16(15(12)7-13)18-8-14(19)10-20-9-11-1-2-11/h3,5,7,11,14,16,18-19H,1-2,4,6,8-10H2/t14-,16-/m0/s1.
What are the key properties of (2S)-1-(cyclopropylmethoxy)-3-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol?
(2S)-1-(cyclopropylmethoxy)-3-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol has a molecular weight of 279.35 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclopropylmethoxy)-3-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol is sourced from PubChem (CID 97231142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).