(2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol

C13H18FNO — CID 103922385

IUPAC(2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
SMILESCC[C@H](CO)NC1CCc2ccc(F)cc21
InChIInChI=1S/C13H18FNO/c1-2-11(8-16)15-13-6-4-9-3-5-10(14)7-12(9)13/h3,5,7,11,13,15-16H,2,4,6,8H2,1H3/t11-,13?/m1/s1
InChIKeyYVGDHFCOSWAFMU-JTDNENJMSA-N
MW223.29 g/mol
LogP2.17
Rot. Bonds4

About (2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol

(2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol (PubChem CID 103922385) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
PubChem CID103922385
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
SMILESCC[C@H](CO)NC1CCc2ccc(F)cc21
InChIInChI=1S/C13H18FNO/c1-2-11(8-16)15-13-6-4-9-3-5-10(14)7-12(9)13/h3,5,7,11,13,15-16H,2,4,6,8H2,1H3/t11-,13?/m1/s1
InChIKeyYVGDHFCOSWAFMU-JTDNENJMSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

(2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 104980476
(2S)-2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]butan-1-ol
CID 104980580
(2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 103922391
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxypentan-3-yl)urea
CID 111455346
(2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906577
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 103922723
2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol
CID 65315582
4-methoxy-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 114210431
(2R)-2-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol
CID 102372507
N-cyclopropyl-6-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83907357
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol
CID 79740783
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111506065

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
The IUPAC name of (2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol (CID 103922385) is (2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
The canonical SMILES for (2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol is CC[C@H](CO)NC1CCc2ccc(F)cc21.
What is the InChIKey of (2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
The InChIKey is YVGDHFCOSWAFMU-JTDNENJMSA-N. The full InChI is InChI=1S/C13H18FNO/c1-2-11(8-16)15-13-6-4-9-3-5-10(14)7-12(9)13/h3,5,7,11,13,15-16H,2,4,6,8H2,1H3/t11-,13?/m1/s1.
What are the key properties of (2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
(2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol has a molecular weight of 223.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol is sourced from PubChem (CID 103922385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).