N-(2,4-dimethylphenyl)-N,1,1,3,3-pentamethyl-2H-inden-4-amine

C22H29N — CID 163846157

IUPACN-(2,4-dimethylphenyl)-N,1,1,3,3-pentamethyl-2H-inden-4-amine
SMILESCc1ccc(N(C)c2cccc3c2C(C)(C)CC3(C)C)c(C)c1
InChIInChI=1S/C22H29N/c1-15-11-12-18(16(2)13-15)23(7)19-10-8-9-17-20(19)22(5,6)14-21(17,3)4/h8-13H,14H2,1-7H3
InChIKeyNQRRDMIOTZBDRI-UHFFFAOYSA-N
MW307.48 g/mol
LogP6.03
Rot. Bonds2

About N-(2,4-dimethylphenyl)-N,1,1,3,3-pentamethyl-2H-inden-4-amine

N-(2,4-dimethylphenyl)-N,1,1,3,3-pentamethyl-2H-inden-4-amine (PubChem CID 163846157) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N,1,1,3,3-pentamethyl-2H-inden-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N,1,1,3,3-pentamethyl-2H-inden-4-amine
PubChem CID163846157
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC NameN-(2,4-dimethylphenyl)-N,1,1,3,3-pentamethyl-2H-inden-4-amine
SMILESCc1ccc(N(C)c2cccc3c2C(C)(C)CC3(C)C)c(C)c1
InChIInChI=1S/C22H29N/c1-15-11-12-18(16(2)13-15)23(7)19-10-8-9-17-20(19)22(5,6)14-21(17,3)4/h8-13H,14H2,1-7H3
InChIKeyNQRRDMIOTZBDRI-UHFFFAOYSA-N
XLogP6.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,1,1,3,3-pentamethyl-N-phenyl-2H-inden-4-amine
CID 163846154
N,5,5,8,8-pentamethyl-N-(2-methylphenyl)-6,7-dihydronaphthalen-1-amine
CID 163726619
1-N-(2,4-dimethylphenyl)-1-N,2-dimethylbenzene-1,4-diamine
CID 62003179
N-(2,3-dimethylphenyl)-N,1,1,3,3-pentamethyl-2H-inden-5-amine
CID 163675888
1-N,1-N,2-N,2-N-tetrakis(2,4-dimethylphenyl)benzene-1,2-diamine
CID 11813371
1,1,1',1',4,4'-hexamethyl-3,3'-spirobi[2H-indene]
CID 157166013
6-N-(2,4-dimethylphenyl)-6-N-methylpyridine-2,6-diamine
CID 80652152
6-chloro-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine
CID 63588619
4-methyl-2-(N,2,4-trimethylanilino)benzonitrile
CID 63511662
1,1-difluoro-3,3,4-trimethyl-2H-indene
CID 170185955
5-methyl-2-(N,2,4-trimethylanilino)benzenecarbothioamide
CID 107928865
6-cyclohexyl-N-(2,4-dimethylphenyl)-N-methyldibenzofuran-4-amine
CID 138651898

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N,1,1,3,3-pentamethyl-2H-inden-4-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-N,1,1,3,3-pentamethyl-2H-inden-4-amine (CID 163846157) is N-(2,4-dimethylphenyl)-N,1,1,3,3-pentamethyl-2H-inden-4-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N,1,1,3,3-pentamethyl-2H-inden-4-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-N,1,1,3,3-pentamethyl-2H-inden-4-amine is Cc1ccc(N(C)c2cccc3c2C(C)(C)CC3(C)C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N,1,1,3,3-pentamethyl-2H-inden-4-amine?
The InChIKey is NQRRDMIOTZBDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N/c1-15-11-12-18(16(2)13-15)23(7)19-10-8-9-17-20(19)22(5,6)14-21(17,3)4/h8-13H,14H2,1-7H3.
What are the key properties of N-(2,4-dimethylphenyl)-N,1,1,3,3-pentamethyl-2H-inden-4-amine?
N-(2,4-dimethylphenyl)-N,1,1,3,3-pentamethyl-2H-inden-4-amine has a molecular weight of 307.48 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N,1,1,3,3-pentamethyl-2H-inden-4-amine is sourced from PubChem (CID 163846157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).