3-(2,3-dihydro-1H-inden-5-yl)-3-fluoropropan-1-amine

C12H16FN — CID 130479547

IUPAC3-(2,3-dihydro-1H-inden-5-yl)-3-fluoropropan-1-amine
SMILESNCCC(F)c1ccc2c(c1)CCC2
InChIInChI=1S/C12H16FN/c13-12(6-7-14)11-5-4-9-2-1-3-10(9)8-11/h4-5,8,12H,1-3,6-7,14H2
InChIKeyXTLYSFKDEMNIOZ-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.53
Rot. Bonds3

About 3-(2,3-dihydro-1H-inden-5-yl)-3-fluoropropan-1-amine

3-(2,3-dihydro-1H-inden-5-yl)-3-fluoropropan-1-amine (PubChem CID 130479547) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yl)-3-fluoropropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yl)-3-fluoropropan-1-amine
PubChem CID130479547
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name3-(2,3-dihydro-1H-inden-5-yl)-3-fluoropropan-1-amine
SMILESNCCC(F)c1ccc2c(c1)CCC2
InChIInChI=1S/C12H16FN/c13-12(6-7-14)11-5-4-9-2-1-3-10(9)8-11/h4-5,8,12H,1-3,6-7,14H2
InChIKeyXTLYSFKDEMNIOZ-UHFFFAOYSA-N
XLogP2.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 116932733
3-amino-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propan-1-ol
CID 84684971
1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylbutane-1,4-diamine
CID 116949561
5-(difluoromethyl)-2,3-dihydro-1H-indene;ethene
CID 164603454
(1S)-2-amino-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 83001263
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
2-(2,3-dihydro-1H-inden-5-yl)-2-methoxyethanamine
CID 82111881
N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 116949253
(2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115569
2,3-dihydro-1H-inden-5-yl-(2,4,6-trifluorophenyl)methanamine
CID 43198708
N'-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]butane-1,4-diamine
CID 60893434
2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 61070182

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-3-fluoropropan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-3-fluoropropan-1-amine (CID 130479547) is 3-(2,3-dihydro-1H-inden-5-yl)-3-fluoropropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yl)-3-fluoropropan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yl)-3-fluoropropan-1-amine is NCCC(F)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yl)-3-fluoropropan-1-amine?
The InChIKey is XTLYSFKDEMNIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c13-12(6-7-14)11-5-4-9-2-1-3-10(9)8-11/h4-5,8,12H,1-3,6-7,14H2.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yl)-3-fluoropropan-1-amine?
3-(2,3-dihydro-1H-inden-5-yl)-3-fluoropropan-1-amine has a molecular weight of 193.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yl)-3-fluoropropan-1-amine is sourced from PubChem (CID 130479547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).