(3R)-1-[(1S,2R)-1-(4-fluoro-2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine

C21H25FN2O — CID 67398110

IUPAC(3R)-1-[(1S,2R)-1-(4-fluoro-2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
SMILESCc1cc(F)ccc1O[C@H]1c2ccccc2C[C@H]1N1CCC[C@@H](N)C1
InChIInChI=1S/C21H25FN2O/c1-14-11-16(22)8-9-20(14)25-21-18-7-3-2-5-15(18)12-19(21)24-10-4-6-17(23)13-24/h2-3,5,7-9,11,17,19,21H,4,6,10,12-13,23H2,1H3/t17-,19-,21+/m1/s1
InChIKeyNWFSMYVXJKTCQI-QFUCXCTJSA-N
MW340.44 g/mol
LogP3.60
Rot. Bonds3

About (3R)-1-[(1S,2R)-1-(4-fluoro-2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine

(3R)-1-[(1S,2R)-1-(4-fluoro-2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine (PubChem CID 67398110) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is (3R)-1-[(1S,2R)-1-(4-fluoro-2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(1S,2R)-1-(4-fluoro-2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
PubChem CID67398110
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name(3R)-1-[(1S,2R)-1-(4-fluoro-2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
SMILESCc1cc(F)ccc1O[C@H]1c2ccccc2C[C@H]1N1CCC[C@@H](N)C1
InChIInChI=1S/C21H25FN2O/c1-14-11-16(22)8-9-20(14)25-21-18-7-3-2-5-15(18)12-19(21)24-10-4-6-17(23)13-24/h2-3,5,7-9,11,17,19,21H,4,6,10,12-13,23H2,1H3/t17-,19-,21+/m1/s1
InChIKeyNWFSMYVXJKTCQI-QFUCXCTJSA-N
XLogP3.60
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1S,2R)-1-(4-fluoro-2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine?
The IUPAC name of (3R)-1-[(1S,2R)-1-(4-fluoro-2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine (CID 67398110) is (3R)-1-[(1S,2R)-1-(4-fluoro-2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[(1S,2R)-1-(4-fluoro-2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[(1S,2R)-1-(4-fluoro-2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine is Cc1cc(F)ccc1O[C@H]1c2ccccc2C[C@H]1N1CCC[C@@H](N)C1.
What is the InChIKey of (3R)-1-[(1S,2R)-1-(4-fluoro-2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine?
The InChIKey is NWFSMYVXJKTCQI-QFUCXCTJSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-14-11-16(22)8-9-20(14)25-21-18-7-3-2-5-15(18)12-19(21)24-10-4-6-17(23)13-24/h2-3,5,7-9,11,17,19,21H,4,6,10,12-13,23H2,1H3/t17-,19-,21+/m1/s1.
What are the key properties of (3R)-1-[(1S,2R)-1-(4-fluoro-2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine?
(3R)-1-[(1S,2R)-1-(4-fluoro-2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine has a molecular weight of 340.44 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1S,2R)-1-(4-fluoro-2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine is sourced from PubChem (CID 67398110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).