4-fluoro-N-[2-(oxan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

C16H22FNO — CID 103983823

IUPAC4-fluoro-N-[2-(oxan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESFc1cccc2c1CCC2NCCC1CCCCO1
InChIInChI=1S/C16H22FNO/c17-15-6-3-5-14-13(15)7-8-16(14)18-10-9-12-4-1-2-11-19-12/h3,5-6,12,16,18H,1-2,4,7-11H2
InChIKeyRLUYXSGMRHSFDA-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.36
Rot. Bonds4

About 4-fluoro-N-[2-(oxan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

4-fluoro-N-[2-(oxan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 103983823) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-fluoro-N-[2-(oxan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-[2-(oxan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID103983823
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name4-fluoro-N-[2-(oxan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESFc1cccc2c1CCC2NCCC1CCCCO1
InChIInChI=1S/C16H22FNO/c17-15-6-3-5-14-13(15)7-8-16(14)18-10-9-12-4-1-2-11-19-12/h3,5-6,12,16,18H,1-2,4,7-11H2
InChIKeyRLUYXSGMRHSFDA-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(oxan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-[2-(oxan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 103983823) is 4-fluoro-N-[2-(oxan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-[2-(oxan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-[2-(oxan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is Fc1cccc2c1CCC2NCCC1CCCCO1.
What is the InChIKey of 4-fluoro-N-[2-(oxan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RLUYXSGMRHSFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c17-15-6-3-5-14-13(15)7-8-16(14)18-10-9-12-4-1-2-11-19-12/h3,5-6,12,16,18H,1-2,4,7-11H2.
What are the key properties of 4-fluoro-N-[2-(oxan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-[2-(oxan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 263.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(oxan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 103983823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).