4-(1,2-dimethyl-1H-inden-4-yl)-N,N-dimethylaniline;N,N-dimethyl-4-(2-methyl-1-propyl-1H-inden-4-yl)aniline

C40H46N2 — CID 143486578

IUPAC4-(1,2-dimethyl-1H-inden-4-yl)-N,N-dimethylaniline;N,N-dimethyl-4-(2-methyl-1-propyl-1H-inden-4-yl)aniline
SMILESCC1=Cc2c(-c3ccc(N(C)C)cc3)cccc2C1C.CCCC1C(C)=Cc2c(-c3ccc(N(C)C)cc3)cccc21
InChIInChI=1S/C21H25N.C19H21N/c1-5-7-18-15(2)14-21-19(8-6-9-20(18)21)16-10-12-17(13-11-16)22(3)4;1-13-12-19-17(14(13)2)6-5-7-18(19)15-8-10-16(11-9-15)20(3)4/h6,8-14,18H,5,7H2,1-4H3;5-12,14H,1-4H3
InChIKeyXCODZTHBUWTHMM-UHFFFAOYSA-N
MW554.82 g/mol
LogP10.66
Rot. Bonds6

About 4-(1,2-dimethyl-1H-inden-4-yl)-N,N-dimethylaniline;N,N-dimethyl-4-(2-methyl-1-propyl-1H-inden-4-yl)aniline

4-(1,2-dimethyl-1H-inden-4-yl)-N,N-dimethylaniline;N,N-dimethyl-4-(2-methyl-1-propyl-1H-inden-4-yl)aniline (PubChem CID 143486578) has the molecular formula C40H46N2 and a molecular weight of 554.82 g/mol. Its IUPAC name is 4-(1,2-dimethyl-1H-inden-4-yl)-N,N-dimethylaniline;N,N-dimethyl-4-(2-methyl-1-propyl-1H-inden-4-yl)aniline.

Molecular Properties

Compound Name4-(1,2-dimethyl-1H-inden-4-yl)-N,N-dimethylaniline;N,N-dimethyl-4-(2-methyl-1-propyl-1H-inden-4-yl)aniline
PubChem CID143486578
Molecular FormulaC40H46N2
Molecular Weight554.82 g/mol
Exact Mass554.37
IUPAC Name4-(1,2-dimethyl-1H-inden-4-yl)-N,N-dimethylaniline;N,N-dimethyl-4-(2-methyl-1-propyl-1H-inden-4-yl)aniline
SMILESCC1=Cc2c(-c3ccc(N(C)C)cc3)cccc2C1C.CCCC1C(C)=Cc2c(-c3ccc(N(C)C)cc3)cccc21
InChIInChI=1S/C21H25N.C19H21N/c1-5-7-18-15(2)14-21-19(8-6-9-20(18)21)16-10-12-17(13-11-16)22(3)4;1-13-12-19-17(14(13)2)6-5-7-18(19)15-8-10-16(11-9-15)20(3)4/h6,8-14,18H,5,7H2,1-4H3;5-12,14H,1-4H3
InChIKeyXCODZTHBUWTHMM-UHFFFAOYSA-N
XLogP10.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.82
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,2-dimethyl-1H-inden-4-yl)-N,N-dimethylaniline
CID 143486580
3-[2-[6-(dimethylamino)-2-methyl-1H-inden-1-yl]ethyl]-N,N,2-trimethyl-3H-inden-5-amine
CID 67039898
CID 91311200
CID 91311200
CID 142753465
CID 142753465
bis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane
CID 22994910
2-methyl-1-[3-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propyl]-4-phenyl-1H-indene
CID 162298446
N,N-diethyl-2-(2-methyl-4-phenyl-1H-inden-1-yl)aniline
CID 155667322
N,N-dimethyl-4-[5-[(4-methylphenoxy)methyl]naphthalen-1-yl]aniline
CID 101009009
dimethyl-bis[(1R)-2-methyl-4-phenyl-1H-inden-1-yl]silane
CID 101111754
2-[4-(dimethylamino)phenyl]-N,N-diethylaniline
CID 173255572
carbanide;dichlorozirconium(2+);2-methyl-1-[3-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propyl]-4-phenyl-1H-indene
CID 162298445
[methyl-[(2-methyl-4-phenyl-1H-inden-1-yl)methyl]silylidene]zirconium;bis(2-methyl-4-phenyl-1H-inden-1-ide);chloride
CID 172861665

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dimethyl-1H-inden-4-yl)-N,N-dimethylaniline;N,N-dimethyl-4-(2-methyl-1-propyl-1H-inden-4-yl)aniline?
The IUPAC name of 4-(1,2-dimethyl-1H-inden-4-yl)-N,N-dimethylaniline;N,N-dimethyl-4-(2-methyl-1-propyl-1H-inden-4-yl)aniline (CID 143486578) is 4-(1,2-dimethyl-1H-inden-4-yl)-N,N-dimethylaniline;N,N-dimethyl-4-(2-methyl-1-propyl-1H-inden-4-yl)aniline.
What is the SMILES notation for 4-(1,2-dimethyl-1H-inden-4-yl)-N,N-dimethylaniline;N,N-dimethyl-4-(2-methyl-1-propyl-1H-inden-4-yl)aniline?
The canonical SMILES for 4-(1,2-dimethyl-1H-inden-4-yl)-N,N-dimethylaniline;N,N-dimethyl-4-(2-methyl-1-propyl-1H-inden-4-yl)aniline is CC1=Cc2c(-c3ccc(N(C)C)cc3)cccc2C1C.CCCC1C(C)=Cc2c(-c3ccc(N(C)C)cc3)cccc21.
What is the InChIKey of 4-(1,2-dimethyl-1H-inden-4-yl)-N,N-dimethylaniline;N,N-dimethyl-4-(2-methyl-1-propyl-1H-inden-4-yl)aniline?
The InChIKey is XCODZTHBUWTHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N.C19H21N/c1-5-7-18-15(2)14-21-19(8-6-9-20(18)21)16-10-12-17(13-11-16)22(3)4;1-13-12-19-17(14(13)2)6-5-7-18(19)15-8-10-16(11-9-15)20(3)4/h6,8-14,18H,5,7H2,1-4H3;5-12,14H,1-4H3.
What are the key properties of 4-(1,2-dimethyl-1H-inden-4-yl)-N,N-dimethylaniline;N,N-dimethyl-4-(2-methyl-1-propyl-1H-inden-4-yl)aniline?
4-(1,2-dimethyl-1H-inden-4-yl)-N,N-dimethylaniline;N,N-dimethyl-4-(2-methyl-1-propyl-1H-inden-4-yl)aniline has a molecular weight of 554.82 g/mol, XLogP of 10.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dimethyl-1H-inden-4-yl)-N,N-dimethylaniline;N,N-dimethyl-4-(2-methyl-1-propyl-1H-inden-4-yl)aniline is sourced from PubChem (CID 143486578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).