N-(4-tert-butylphenyl)-3,3-dimethylinden-1-amine

C21H25N — CID 176909430

IUPACN-(4-tert-butylphenyl)-3,3-dimethylinden-1-amine
SMILESCC(C)(C)c1ccc(NC2=CC(C)(C)c3ccccc32)cc1
InChIInChI=1S/C21H25N/c1-20(2,3)15-10-12-16(13-11-15)22-19-14-21(4,5)18-9-7-6-8-17(18)19/h6-14,22H,1-5H3
InChIKeySLBXAZSUHHCVMN-UHFFFAOYSA-N
MW291.44 g/mol
LogP5.73
Rot. Bonds2

About N-(4-tert-butylphenyl)-3,3-dimethylinden-1-amine

N-(4-tert-butylphenyl)-3,3-dimethylinden-1-amine (PubChem CID 176909430) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3,3-dimethylinden-1-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3,3-dimethylinden-1-amine
PubChem CID176909430
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC NameN-(4-tert-butylphenyl)-3,3-dimethylinden-1-amine
SMILESCC(C)(C)c1ccc(NC2=CC(C)(C)c3ccccc32)cc1
InChIInChI=1S/C21H25N/c1-20(2,3)15-10-12-16(13-11-15)22-19-14-21(4,5)18-9-7-6-8-17(18)19/h6-14,22H,1-5H3
InChIKeySLBXAZSUHHCVMN-UHFFFAOYSA-N
XLogP5.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-bis(4-tert-butylphenyl)aniline
CID 176593215
N-(4-tert-butylphenyl)-2-phenylaniline
CID 139372366
N-(4-tert-butylphenyl)-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 167289029
N-(4-tert-butylphenyl)-9,9-dimethyl-3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)fluoren-2-amine
CID 175403761
3-chloro-1,1-dimethylindene
CID 154967780
N-(4-tert-butylphenyl)-4-spiro[fluorene-9,9'-xanthene]-3-ylaniline
CID 155235355
N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-9,9,10,10-tetramethylanthracen-2-amine
CID 166497801
N-(4-tert-butylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 166807941
N-(4-tert-butylphenyl)naphthalen-2-amine;9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine;N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 162082331
4-tert-butyl-N-[4-[9-[4-[(4-tert-butylbenzoyl)amino]phenyl]fluoren-9-yl]phenyl]benzamide
CID 3404404
4-tert-butyl-N-(4-tert-butylphenyl)aniline;4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine;N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine;N-(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 161077645
N-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine
CID 164550755

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3,3-dimethylinden-1-amine?
The IUPAC name of N-(4-tert-butylphenyl)-3,3-dimethylinden-1-amine (CID 176909430) is N-(4-tert-butylphenyl)-3,3-dimethylinden-1-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-3,3-dimethylinden-1-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-3,3-dimethylinden-1-amine is CC(C)(C)c1ccc(NC2=CC(C)(C)c3ccccc32)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-3,3-dimethylinden-1-amine?
The InChIKey is SLBXAZSUHHCVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N/c1-20(2,3)15-10-12-16(13-11-15)22-19-14-21(4,5)18-9-7-6-8-17(18)19/h6-14,22H,1-5H3.
What are the key properties of N-(4-tert-butylphenyl)-3,3-dimethylinden-1-amine?
N-(4-tert-butylphenyl)-3,3-dimethylinden-1-amine has a molecular weight of 291.44 g/mol, XLogP of 5.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3,3-dimethylinden-1-amine is sourced from PubChem (CID 176909430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).