1-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]amino]ethylamino]ethanol

C27H32N2O2 — CID 134185985

IUPAC1-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]amino]ethylamino]ethanol
SMILESCc1c(COc2cccc3c2CCC3NCCNC(C)O)cccc1-c1ccccc1
InChIInChI=1S/C27H32N2O2/c1-19-22(10-6-11-23(19)21-8-4-3-5-9-21)18-31-27-13-7-12-24-25(27)14-15-26(24)29-17-16-28-20(2)30/h3-13,20,26,28-30H,14-18H2,1-2H3
InChIKeyNFTUXGRULDFKPU-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.75
Rot. Bonds9

About 1-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]amino]ethylamino]ethanol

1-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]amino]ethylamino]ethanol (PubChem CID 134185985) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 1-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]amino]ethylamino]ethanol.

Molecular Properties

Compound Name1-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]amino]ethylamino]ethanol
PubChem CID134185985
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC Name1-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]amino]ethylamino]ethanol
SMILESCc1c(COc2cccc3c2CCC3NCCNC(C)O)cccc1-c1ccccc1
InChIInChI=1S/C27H32N2O2/c1-19-22(10-6-11-23(19)21-8-4-3-5-9-21)18-31-27-13-7-12-24-25(27)14-15-26(24)29-17-16-28-20(2)30/h3-13,20,26,28-30H,14-18H2,1-2H3
InChIKeyNFTUXGRULDFKPU-UHFFFAOYSA-N
XLogP4.75
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[(3,5-dimethylphenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63089768
4-fluoro-N-[2-(2-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103721632
5-methyl-4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene
CID 155756269
N-ethyl-4-(2-methoxypropoxy)-2,3-dihydro-1H-inden-1-amine
CID 113382709
(2S)-1-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 121452790
N-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 130316749
3-hydroxy-2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-3-nitrophenyl]methylamino]butanoic acid
CID 175023263
7-[(2-acetamidoethylamino)methyl]-1-methyl-4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 156762814
trans-(1S,2S)-2-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]cyclopentan-1-ol
CID 121452770
N-ethyl-4-(2-methylpentoxy)-2,3-dihydro-1H-inden-1-amine
CID 63091549
4-(3,3-dimethylbutoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 63485329
2-[[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]oxy]pentanoic acid
CID 83035099

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]amino]ethylamino]ethanol?
The IUPAC name of 1-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]amino]ethylamino]ethanol (CID 134185985) is 1-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]amino]ethylamino]ethanol.
What is the SMILES notation for 1-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]amino]ethylamino]ethanol?
The canonical SMILES for 1-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]amino]ethylamino]ethanol is Cc1c(COc2cccc3c2CCC3NCCNC(C)O)cccc1-c1ccccc1.
What is the InChIKey of 1-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]amino]ethylamino]ethanol?
The InChIKey is NFTUXGRULDFKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c1-19-22(10-6-11-23(19)21-8-4-3-5-9-21)18-31-27-13-7-12-24-25(27)14-15-26(24)29-17-16-28-20(2)30/h3-13,20,26,28-30H,14-18H2,1-2H3.
What are the key properties of 1-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]amino]ethylamino]ethanol?
1-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]amino]ethylamino]ethanol has a molecular weight of 416.57 g/mol, XLogP of 4.75, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]amino]ethylamino]ethanol is sourced from PubChem (CID 134185985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).