[4-[(2-amino-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-phenylmethanone

C22H19NO2 — CID 19075636

IUPAC[4-[(2-amino-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-phenylmethanone
SMILESNC1Cc2ccccc2C1Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19NO2/c23-20-14-17-8-4-5-9-19(17)22(20)25-18-12-10-16(11-13-18)21(24)15-6-2-1-3-7-15/h1-13,20,22H,14,23H2
InChIKeyDVEQJXPNPZSERS-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.92
Rot. Bonds4

About [4-[(2-amino-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-phenylmethanone

[4-[(2-amino-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-phenylmethanone (PubChem CID 19075636) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is [4-[(2-amino-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(2-amino-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-phenylmethanone
PubChem CID19075636
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name[4-[(2-amino-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-phenylmethanone
SMILESNC1Cc2ccccc2C1Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19NO2/c23-20-14-17-8-4-5-9-19(17)22(20)25-18-12-10-16(11-13-18)21(24)15-6-2-1-3-7-15/h1-13,20,22H,14,23H2
InChIKeyDVEQJXPNPZSERS-UHFFFAOYSA-N
XLogP3.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[4-[[(1R,2S)-2-(methylamino)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanone;hydrochloride
CID 70069436
[4-[(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)oxy]phenyl]-phenylmethanone;oxalic acid
CID 13117094
3-[[(2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]oxy]benzamide
CID 143950712
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
1-[4-[[(1S,2S)-2-(4-ethylcyclohexyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]ethanone
CID 143950742
bis[4-(4-benzoylphenoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl] oxalate
CID 57150342
3-[[2-(3-aminopiperidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]benzamide
CID 76775087
diphenylmethanone
CID 3102
1-(4-benzoylphenoxy)cyclopropane-1-carboxylic acid
CID 156775993
2,3-dihydro-1H-indene-1,2-diamine
CID 10986398
[4-[2-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 175364335
(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-ol;hydrochloride
CID 71776086

Frequently Asked Questions

What is the IUPAC name of [4-[(2-amino-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[(2-amino-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-phenylmethanone (CID 19075636) is [4-[(2-amino-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[(2-amino-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[(2-amino-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-phenylmethanone is NC1Cc2ccccc2C1Oc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[(2-amino-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-phenylmethanone?
The InChIKey is DVEQJXPNPZSERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c23-20-14-17-8-4-5-9-19(17)22(20)25-18-12-10-16(11-13-18)21(24)15-6-2-1-3-7-15/h1-13,20,22H,14,23H2.
What are the key properties of [4-[(2-amino-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-phenylmethanone?
[4-[(2-amino-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-phenylmethanone has a molecular weight of 329.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-amino-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-phenylmethanone is sourced from PubChem (CID 19075636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).