(1R,2S)-1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine

C22H20FNO2 — CID 139710561

IUPAC(1R,2S)-1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine
SMILESCN[C@H]1Cc2ccccc2[C@H]1Oc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C22H20FNO2/c1-24-21-14-15-4-2-3-5-20(15)22(21)26-19-12-10-18(11-13-19)25-17-8-6-16(23)7-9-17/h2-13,21-22,24H,14H2,1H3/t21-,22+/m0/s1
InChIKeyKXMDCYITKPSTPH-FCHUYYIVSA-N
MW349.41 g/mol
LogP4.88
Rot. Bonds5

About (1R,2S)-1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine

(1R,2S)-1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 139710561) has the molecular formula C22H20FNO2 and a molecular weight of 349.41 g/mol. Its IUPAC name is (1R,2S)-1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name(1R,2S)-1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine
PubChem CID139710561
Molecular FormulaC22H20FNO2
Molecular Weight349.41 g/mol
Exact Mass349.15
IUPAC Name(1R,2S)-1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine
SMILESCN[C@H]1Cc2ccccc2[C@H]1Oc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C22H20FNO2/c1-24-21-14-15-4-2-3-5-20(15)22(21)26-19-12-10-18(11-13-19)25-17-8-6-16(23)7-9-17/h2-13,21-22,24H,14H2,1H3/t21-,22+/m0/s1
InChIKeyKXMDCYITKPSTPH-FCHUYYIVSA-N
XLogP4.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 70068488
(4-fluorophenyl)-[4-[[(1R,2S)-2-(methylamino)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanone;hydrochloride
CID 70069436
(1R,2S)-1-(4-tert-butylphenoxy)-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 18661299
N-methyl-1-(4-phenylmethoxyphenoxy)-2,3-dihydro-1H-inden-2-amine
CID 19075628
N-methyl-1-(3-phenylphenoxy)-2,3-dihydro-1H-inden-2-amine
CID 19075653
(1R,2S)-1-[[4-(4-fluorophenoxy)phenyl]methyl]-N-propan-2-yl-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 67652086
(1R,2R)-N-(cyclopropylmethyl)-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenoxy]-2,3-dihydro-1H-inden-2-amine
CID 163485657
(1S,2R)-1-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 67652206
N-[(1R)-1-(4-fluorophenyl)-2-[(1-methoxy-2,3-dihydro-1H-inden-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 137441255
(2S)-2-amino-N-[(1R,2R)-1-ethoxy-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)acetamide
CID 130277377
tert-butyl N-[(1S,2R)-1-(4-phenylmethoxyphenoxy)-2,3-dihydro-1H-inden-2-yl]carbamate
CID 67647320
(2S)-2-(cyclopropylmethylamino)-2-(4-fluorophenyl)-N-[(1S,2S)-1-methoxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 137441244

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of (1R,2S)-1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine (CID 139710561) is (1R,2S)-1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for (1R,2S)-1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for (1R,2S)-1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine is CN[C@H]1Cc2ccccc2[C@H]1Oc1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of (1R,2S)-1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is KXMDCYITKPSTPH-FCHUYYIVSA-N. The full InChI is InChI=1S/C22H20FNO2/c1-24-21-14-15-4-2-3-5-20(15)22(21)26-19-12-10-18(11-13-19)25-17-8-6-16(23)7-9-17/h2-13,21-22,24H,14H2,1H3/t21-,22+/m0/s1.
What are the key properties of (1R,2S)-1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine?
(1R,2S)-1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 349.41 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 139710561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).