4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine

C12H25FN4 — CID 175262813

IUPAC4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine
SMILESCN.CN.CN.NC1CCc2c(F)cccc21
InChIInChI=1S/C9H10FN.3CH5N/c10-8-3-1-2-7-6(8)4-5-9(7)11;3*1-2/h1-3,9H,4-5,11H2;3*2H2,1H3
InChIKeyVMGMNCXFLGOUEZ-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.50
Rot. Bonds

About 4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine

4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine (PubChem CID 175262813) has the molecular formula C12H25FN4 and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine.

Molecular Properties

Compound Name4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine
PubChem CID175262813
Molecular FormulaC12H25FN4
Molecular Weight244.36 g/mol
Exact Mass244.21
IUPAC Name4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine
SMILESCN.CN.CN.NC1CCc2c(F)cccc21
InChIInChI=1S/C9H10FN.3CH5N/c10-8-3-1-2-7-6(8)4-5-9(7)11;3*1-2/h1-3,9H,4-5,11H2;3*2H2,1H3
InChIKeyVMGMNCXFLGOUEZ-UHFFFAOYSA-N
XLogP0.50
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 134159261
5-fluoro-1-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115058068
2,3-dihydro-1H-indene-1,4-diamine
CID 55293440
(1S)-5-fluoro-4-iodo-2,3-dihydro-1H-inden-1-amine
CID 130871328
5-fluoro-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 55294576
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 83069908
4-fluoro-2,3-dihydro-1H-indene-1-thiol
CID 83070034
(1R)-4-trimethylsilyl-2,3-dihydro-1H-inden-1-amine
CID 140770742
4-ethyl-2,3-dihydro-1H-inden-1-amine
CID 62390706
4-(3-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-1-amine
CID 114081111
(4S)-8-fluoro-3,4-dihydro-1H-isochromen-4-amine
CID 59799575
2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propan-1-amine
CID 83907555

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine?
The IUPAC name of 4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine (CID 175262813) is 4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine.
What is the SMILES notation for 4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine?
The canonical SMILES for 4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine is CN.CN.CN.NC1CCc2c(F)cccc21.
What is the InChIKey of 4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine?
The InChIKey is VMGMNCXFLGOUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN.3CH5N/c10-8-3-1-2-7-6(8)4-5-9(7)11;3*1-2/h1-3,9H,4-5,11H2;3*2H2,1H3.
What are the key properties of 4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine?
4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine has a molecular weight of 244.36 g/mol, XLogP of 0.50, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine is sourced from PubChem (CID 175262813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).