N,N-diethyl-2-(2-methyl-4-phenyl-1H-inden-1-yl)aniline

C26H27N — CID 155667322

IUPACN,N-diethyl-2-(2-methyl-4-phenyl-1H-inden-1-yl)aniline
SMILESCCN(CC)c1ccccc1C1C(C)=Cc2c(-c3ccccc3)cccc21
InChIInChI=1S/C26H27N/c1-4-27(5-2)25-17-10-9-14-23(25)26-19(3)18-24-21(15-11-16-22(24)26)20-12-7-6-8-13-20/h6-18,26H,4-5H2,1-3H3
InChIKeyCLCHTAJDGCSINX-UHFFFAOYSA-N
MW353.51 g/mol
LogP6.75
Rot. Bonds5

About N,N-diethyl-2-(2-methyl-4-phenyl-1H-inden-1-yl)aniline

N,N-diethyl-2-(2-methyl-4-phenyl-1H-inden-1-yl)aniline (PubChem CID 155667322) has the molecular formula C26H27N and a molecular weight of 353.51 g/mol. Its IUPAC name is N,N-diethyl-2-(2-methyl-4-phenyl-1H-inden-1-yl)aniline.

Molecular Properties

Compound NameN,N-diethyl-2-(2-methyl-4-phenyl-1H-inden-1-yl)aniline
PubChem CID155667322
Molecular FormulaC26H27N
Molecular Weight353.51 g/mol
Exact Mass353.21
IUPAC NameN,N-diethyl-2-(2-methyl-4-phenyl-1H-inden-1-yl)aniline
SMILESCCN(CC)c1ccccc1C1C(C)=Cc2c(-c3ccccc3)cccc21
InChIInChI=1S/C26H27N/c1-4-27(5-2)25-17-10-9-14-23(25)26-19(3)18-24-21(15-11-16-22(24)26)20-12-7-6-8-13-20/h6-18,26H,4-5H2,1-3H3
InChIKeyCLCHTAJDGCSINX-UHFFFAOYSA-N
XLogP6.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 69304218
CID 69304218
dimethyl-bis[(1R)-2-methyl-4-phenyl-1H-inden-1-yl]silane
CID 101111754
2-[2-(diethylamino)phenyl]-N,N-diethylaniline
CID 158417392
CID 173305494
CID 173305494
4-(1,2-dimethyl-1H-inden-4-yl)-N,N-dimethylaniline
CID 143486580
1-(diethylamino)-9H-fluoren-9-ol
CID 174822735
3-benzhydrylidene-2,7-diethyl-1-(2-methyl-4-phenyl-1H-inden-1-yl)-9H-fluoren-9-ide;zirconium(3+);dichloride
CID 87558111
(2-methyl-4-phenyl-1H-inden-1-yl)-diphenyl-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)silane
CID 139774717
2-[5-methyl-4-(2-methyl-4-phenyl-1H-inden-1-yl)pentalen-1-yl]-1H-azepine
CID 174516268
4-[3,5-dimethyl-4-[N-(2-phenylphenyl)-4-(3-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121322868
2-N,2-N-diethyl-4-phenylbenzene-1,2-diamine
CID 169488588
2-[4-(dimethylamino)phenyl]-N,N-diethylaniline
CID 173255572

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-methyl-4-phenyl-1H-inden-1-yl)aniline?
The IUPAC name of N,N-diethyl-2-(2-methyl-4-phenyl-1H-inden-1-yl)aniline (CID 155667322) is N,N-diethyl-2-(2-methyl-4-phenyl-1H-inden-1-yl)aniline.
What is the SMILES notation for N,N-diethyl-2-(2-methyl-4-phenyl-1H-inden-1-yl)aniline?
The canonical SMILES for N,N-diethyl-2-(2-methyl-4-phenyl-1H-inden-1-yl)aniline is CCN(CC)c1ccccc1C1C(C)=Cc2c(-c3ccccc3)cccc21.
What is the InChIKey of N,N-diethyl-2-(2-methyl-4-phenyl-1H-inden-1-yl)aniline?
The InChIKey is CLCHTAJDGCSINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N/c1-4-27(5-2)25-17-10-9-14-23(25)26-19(3)18-24-21(15-11-16-22(24)26)20-12-7-6-8-13-20/h6-18,26H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-(2-methyl-4-phenyl-1H-inden-1-yl)aniline?
N,N-diethyl-2-(2-methyl-4-phenyl-1H-inden-1-yl)aniline has a molecular weight of 353.51 g/mol, XLogP of 6.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-methyl-4-phenyl-1H-inden-1-yl)aniline is sourced from PubChem (CID 155667322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).