N-(2,3-dihydro-1H-inden-2-yl)-2-fluorooxan-3-amine

C14H18FNO — CID 126857103

IUPACN-(2,3-dihydro-1H-inden-2-yl)-2-fluorooxan-3-amine
SMILESFC1OCCCC1NC1Cc2ccccc2C1
InChIInChI=1S/C14H18FNO/c15-14-13(6-3-7-17-14)16-12-8-10-4-1-2-5-11(10)9-12/h1-2,4-5,12-14,16H,3,6-9H2
InChIKeyDCFAPJGIANIQRM-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.22
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-2-yl)-2-fluorooxan-3-amine

N-(2,3-dihydro-1H-inden-2-yl)-2-fluorooxan-3-amine (PubChem CID 126857103) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2-fluorooxan-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-2-fluorooxan-3-amine
PubChem CID126857103
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-2-fluorooxan-3-amine
SMILESFC1OCCCC1NC1Cc2ccccc2C1
InChIInChI=1S/C14H18FNO/c15-14-13(6-3-7-17-14)16-12-8-10-4-1-2-5-11(10)9-12/h1-2,4-5,12-14,16H,3,6-9H2
InChIKeyDCFAPJGIANIQRM-UHFFFAOYSA-N
XLogP2.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-Fluorophenyl)methyl]morpholine
CID 82281886
(R)-3-(4-fluorobenzyl)morpholine
CID 95437547
4-(2,3-dihydro-1H-inden-2-yl)morpholine
CID 783780
N-(2-ethoxyethyl)-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 126810075
N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine
CID 2245144
(7S)-7-benzyl-9-oxa-6-azaspiro[4.5]decane
CID 22689144
1,5-anhydro-2,3-dideoxy-3-(2,3-dihydro-1H-inden-2-ylamino)-D-threo-pentitol
CID 91776751
N-[3-[(3S)-oxolan-3-yl]propyl]-2,3-dihydro-1H-inden-2-amine
CID 95138297
(3S)-N-[2-(2-fluorophenyl)ethyl]oxolan-3-amine
CID 95379249
2-[(2,3-dihydro-1H-inden-2-yl)amino]ethan-1-ol
CID 3028277
(3R)-3-[(2-fluorophenyl)methyl]morpholine
CID 95437567
(3R)-3-[(3-fluorophenyl)methyl]morpholine
CID 95437579

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-fluorooxan-3-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-fluorooxan-3-amine (CID 126857103) is N-(2,3-dihydro-1H-inden-2-yl)-2-fluorooxan-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-2-fluorooxan-3-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-2-fluorooxan-3-amine is FC1OCCCC1NC1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-2-fluorooxan-3-amine?
The InChIKey is DCFAPJGIANIQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c15-14-13(6-3-7-17-14)16-12-8-10-4-1-2-5-11(10)9-12/h1-2,4-5,12-14,16H,3,6-9H2.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-2-fluorooxan-3-amine?
N-(2,3-dihydro-1H-inden-2-yl)-2-fluorooxan-3-amine has a molecular weight of 235.30 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-2-fluorooxan-3-amine is sourced from PubChem (CID 126857103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).