(1S)-7-ethyl-4-fluoro-2,3-dihydro-1H-inden-1-amine

C11H14FN — CID 131145871

IUPAC(1S)-7-ethyl-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCc1ccc(F)c2c1[C@@H](N)CC2
InChIInChI=1S/C11H14FN/c1-2-7-3-5-9(12)8-4-6-10(13)11(7)8/h3,5,10H,2,4,6,13H2,1H3/t10-/m0/s1
InChIKeyOJAQJINLPJAZTM-JTQLQIEISA-N
MW179.24 g/mol
LogP2.33
Rot. Bonds1

About (1S)-7-ethyl-4-fluoro-2,3-dihydro-1H-inden-1-amine

(1S)-7-ethyl-4-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 131145871) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is (1S)-7-ethyl-4-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-7-ethyl-4-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID131145871
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name(1S)-7-ethyl-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCc1ccc(F)c2c1[C@@H](N)CC2
InChIInChI=1S/C11H14FN/c1-2-7-3-5-9(12)8-4-6-10(13)11(7)8/h3,5,10H,2,4,6,13H2,1H3/t10-/m0/s1
InChIKeyOJAQJINLPJAZTM-JTQLQIEISA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-5-ethyl-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130691697
(3R)-3-amino-7-fluoro-2,3-dihydro-1H-inden-4-ol
CID 130645514
(1R)-7-chloro-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 55275436
(5S)-5-amino-4-ethyl-5,6,7,8-tetrahydronaphthalen-1-ol
CID 131096656
(1R)-5-bromo-8-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130985321
tert-butyl (3R)-3-amino-7-fluoro-2,3-dihydro-1H-indene-4-carboxylate
CID 125458865
(1S)-4-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 130612015
4-ethyl-2,3-dihydro-1H-inden-1-amine
CID 62390706
(1R)-1-amino-5,7-difluoro-2,3-dihydro-1H-inden-4-ol
CID 55274996
4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine
CID 175262813
(7-fluoro-3-hydroxy-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid
CID 174959482
(1R)-4-(2,6-difluoro-3,5-dimethoxyphenyl)-7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 126702076

Frequently Asked Questions

What is the IUPAC name of (1S)-7-ethyl-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-7-ethyl-4-fluoro-2,3-dihydro-1H-inden-1-amine (CID 131145871) is (1S)-7-ethyl-4-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-7-ethyl-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-7-ethyl-4-fluoro-2,3-dihydro-1H-inden-1-amine is CCc1ccc(F)c2c1[C@@H](N)CC2.
What is the InChIKey of (1S)-7-ethyl-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is OJAQJINLPJAZTM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14FN/c1-2-7-3-5-9(12)8-4-6-10(13)11(7)8/h3,5,10H,2,4,6,13H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-7-ethyl-4-fluoro-2,3-dihydro-1H-inden-1-amine?
(1S)-7-ethyl-4-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 179.24 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-ethyl-4-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 131145871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).