4-fluoro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine

C14H18FNO — CID 79483664

IUPAC4-fluoro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1cccc2c1CCC2NCC1CCCO1
InChIInChI=1S/C14H18FNO/c15-13-5-1-4-12-11(13)6-7-14(12)16-9-10-3-2-8-17-10/h1,4-5,10,14,16H,2-3,6-9H2
InChIKeyIVHYZTVMCQNQFW-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.58
Rot. Bonds3

About 4-fluoro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine

4-fluoro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 79483664) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 4-fluoro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID79483664
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name4-fluoro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1cccc2c1CCC2NCC1CCCO1
InChIInChI=1S/C14H18FNO/c15-13-5-1-4-12-11(13)6-7-14(12)16-9-10-3-2-8-17-10/h1,4-5,10,14,16H,2-3,6-9H2
InChIKeyIVHYZTVMCQNQFW-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine (CID 79483664) is 4-fluoro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine is Fc1cccc2c1CCC2NCC1CCCO1.
What is the InChIKey of 4-fluoro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is IVHYZTVMCQNQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c15-13-5-1-4-12-11(13)6-7-14(12)16-9-10-3-2-8-17-10/h1,4-5,10,14,16H,2-3,6-9H2.
What are the key properties of 4-fluoro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 235.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79483664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).