N-(4-tert-butyl-2-methylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine

C25H35N — CID 155595921

IUPACN-(4-tert-butyl-2-methylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
SMILESCc1cc(C(C)(C)C)ccc1Nc1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H35N/c1-17-15-18(23(2,3)4)9-12-22(17)26-19-10-11-20-21(16-19)25(7,8)14-13-24(20,5)6/h9-12,15-16,26H,13-14H2,1-8H3
InChIKeyDOLLZODFIFIUNY-UHFFFAOYSA-N
MW349.56 g/mol
LogP7.39
Rot. Bonds2

About N-(4-tert-butyl-2-methylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine

N-(4-tert-butyl-2-methylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine (PubChem CID 155595921) has the molecular formula C25H35N and a molecular weight of 349.56 g/mol. Its IUPAC name is N-(4-tert-butyl-2-methylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(4-tert-butyl-2-methylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
PubChem CID155595921
Molecular FormulaC25H35N
Molecular Weight349.56 g/mol
Exact Mass349.28
IUPAC NameN-(4-tert-butyl-2-methylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
SMILESCc1cc(C(C)(C)C)ccc1Nc1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H35N/c1-17-15-18(23(2,3)4)9-12-22(17)26-19-10-11-20-21(16-19)25(7,8)14-13-24(20,5)6/h9-12,15-16,26H,13-14H2,1-8H3
InChIKeyDOLLZODFIFIUNY-UHFFFAOYSA-N
XLogP7.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.56
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2-methylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
The IUPAC name of N-(4-tert-butyl-2-methylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine (CID 155595921) is N-(4-tert-butyl-2-methylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine.
What is the SMILES notation for N-(4-tert-butyl-2-methylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
The canonical SMILES for N-(4-tert-butyl-2-methylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine is Cc1cc(C(C)(C)C)ccc1Nc1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of N-(4-tert-butyl-2-methylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
The InChIKey is DOLLZODFIFIUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N/c1-17-15-18(23(2,3)4)9-12-22(17)26-19-10-11-20-21(16-19)25(7,8)14-13-24(20,5)6/h9-12,15-16,26H,13-14H2,1-8H3.
What are the key properties of N-(4-tert-butyl-2-methylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
N-(4-tert-butyl-2-methylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine has a molecular weight of 349.56 g/mol, XLogP of 7.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2-methylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine is sourced from PubChem (CID 155595921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).