(2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol

C13H18FNO — CID 104980476

IUPAC(2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
SMILESCC[C@@H](CO)NC1CCc2cc(F)ccc21
InChIInChI=1S/C13H18FNO/c1-2-11(8-16)15-13-6-3-9-7-10(14)4-5-12(9)13/h4-5,7,11,13,15-16H,2-3,6,8H2,1H3/t11-,13?/m0/s1
InChIKeyDLZKPTOIFIKOCT-AMGKYWFPSA-N
MW223.29 g/mol
LogP2.17
Rot. Bonds4

About (2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol

(2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol (PubChem CID 104980476) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
PubChem CID104980476
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
SMILESCC[C@@H](CO)NC1CCc2cc(F)ccc21
InChIInChI=1S/C13H18FNO/c1-2-11(8-16)15-13-6-3-9-7-10(14)4-5-12(9)13/h4-5,7,11,13,15-16H,2-3,6,8H2,1H3/t11-,13?/m0/s1
InChIKeyDLZKPTOIFIKOCT-AMGKYWFPSA-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

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Related Compounds

(2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 103922385
(2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 103922391
5-fluoro-N-(1-phenylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 115623709
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol
CID 79740783
N-[1-(3-chlorophenyl)propyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115667957
(2S)-2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]butan-1-ol
CID 104980580
2-ethyl-2-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]butan-1-ol
CID 103904666
2-ethyl-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol
CID 103935768
5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 115710200
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 103922723
5-fluoro-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 115889805
5-fluoro-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine
CID 115890485

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
The IUPAC name of (2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol (CID 104980476) is (2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
The canonical SMILES for (2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol is CC[C@@H](CO)NC1CCc2cc(F)ccc21.
What is the InChIKey of (2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
The InChIKey is DLZKPTOIFIKOCT-AMGKYWFPSA-N. The full InChI is InChI=1S/C13H18FNO/c1-2-11(8-16)15-13-6-3-9-7-10(14)4-5-12(9)13/h4-5,7,11,13,15-16H,2-3,6,8H2,1H3/t11-,13?/m0/s1.
What are the key properties of (2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
(2S)-2-[(5-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 (2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol is sourced from PubChem (CID 104980476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).