(2R)-N-[(3-fluorooxetan-3-yl)methyl]-1-(3H-inden-1-yl)propan-2-amine

C16H20FNO — CID 147507299

IUPAC(2R)-N-[(3-fluorooxetan-3-yl)methyl]-1-(3H-inden-1-yl)propan-2-amine
SMILESC[C@H](CC1=CCc2ccccc21)NCC1(F)COC1
InChIInChI=1S/C16H20FNO/c1-12(18-9-16(17)10-19-11-16)8-14-7-6-13-4-2-3-5-15(13)14/h2-5,7,12,18H,6,8-11H2,1H3/t12-/m1/s1
InChIKeyFIPAKNSPAVRIAO-GFCCVEGCSA-N
MW261.34 g/mol
LogP2.73
Rot. Bonds5

About (2R)-N-[(3-fluorooxetan-3-yl)methyl]-1-(3H-inden-1-yl)propan-2-amine

(2R)-N-[(3-fluorooxetan-3-yl)methyl]-1-(3H-inden-1-yl)propan-2-amine (PubChem CID 147507299) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is (2R)-N-[(3-fluorooxetan-3-yl)methyl]-1-(3H-inden-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(3-fluorooxetan-3-yl)methyl]-1-(3H-inden-1-yl)propan-2-amine
PubChem CID147507299
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name(2R)-N-[(3-fluorooxetan-3-yl)methyl]-1-(3H-inden-1-yl)propan-2-amine
SMILESC[C@H](CC1=CCc2ccccc21)NCC1(F)COC1
InChIInChI=1S/C16H20FNO/c1-12(18-9-16(17)10-19-11-16)8-14-7-6-13-4-2-3-5-15(13)14/h2-5,7,12,18H,6,8-11H2,1H3/t12-/m1/s1
InChIKeyFIPAKNSPAVRIAO-GFCCVEGCSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-fluorooxetan-3-yl)methyl]-1-(3H-inden-1-yl)propan-2-amine?
The IUPAC name of (2R)-N-[(3-fluorooxetan-3-yl)methyl]-1-(3H-inden-1-yl)propan-2-amine (CID 147507299) is (2R)-N-[(3-fluorooxetan-3-yl)methyl]-1-(3H-inden-1-yl)propan-2-amine.
What is the SMILES notation for (2R)-N-[(3-fluorooxetan-3-yl)methyl]-1-(3H-inden-1-yl)propan-2-amine?
The canonical SMILES for (2R)-N-[(3-fluorooxetan-3-yl)methyl]-1-(3H-inden-1-yl)propan-2-amine is C[C@H](CC1=CCc2ccccc21)NCC1(F)COC1.
What is the InChIKey of (2R)-N-[(3-fluorooxetan-3-yl)methyl]-1-(3H-inden-1-yl)propan-2-amine?
The InChIKey is FIPAKNSPAVRIAO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20FNO/c1-12(18-9-16(17)10-19-11-16)8-14-7-6-13-4-2-3-5-15(13)14/h2-5,7,12,18H,6,8-11H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-N-[(3-fluorooxetan-3-yl)methyl]-1-(3H-inden-1-yl)propan-2-amine?
(2R)-N-[(3-fluorooxetan-3-yl)methyl]-1-(3H-inden-1-yl)propan-2-amine has a molecular weight of 261.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-fluorooxetan-3-yl)methyl]-1-(3H-inden-1-yl)propan-2-amine is sourced from PubChem (CID 147507299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).