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

C22H21ClFNO2 — CID 70068488

IUPAC1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
SMILESCNC1Cc2ccccc2C1Oc1ccc(Oc2ccc(F)cc2)cc1.Cl
InChIInChI=1S/C22H20FNO2.ClH/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;1H
InChIKeyWWIJREWGSAPJKF-UHFFFAOYSA-N
MW385.87 g/mol
LogP5.30
Rot. Bonds5

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

1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride (PubChem CID 70068488) has the molecular formula C22H21ClFNO2 and a molecular weight of 385.87 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
PubChem CID70068488
Molecular FormulaC22H21ClFNO2
Molecular Weight385.87 g/mol
Exact Mass385.12
IUPAC Name1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
SMILESCNC1Cc2ccccc2C1Oc1ccc(Oc2ccc(F)cc2)cc1.Cl
InChIInChI=1S/C22H20FNO2.ClH/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;1H
InChIKeyWWIJREWGSAPJKF-UHFFFAOYSA-N
XLogP5.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.87
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 139710561
(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
N-[(1R)-1-(4-fluorophenyl)-2-[(1-methoxy-2,3-dihydro-1H-inden-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 137441255
(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
(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
1-benzyl-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 23203044

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The IUPAC name of 1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride (CID 70068488) is 1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The canonical SMILES for 1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride is CNC1Cc2ccccc2C1Oc1ccc(Oc2ccc(F)cc2)cc1.Cl.
What is the InChIKey of 1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The InChIKey is WWIJREWGSAPJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO2.ClH/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;1H.
What are the key properties of 1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride has a molecular weight of 385.87 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride is sourced from PubChem (CID 70068488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).