N-methyl-4-[(E)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]aniline

C24H31N — CID 20672226

IUPACN-methyl-4-[(E)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]aniline
SMILESCNc1ccc(/C(C)=C/c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C24H31N/c1-17(19-8-10-20(25-6)11-9-19)15-18-7-12-21-22(16-18)24(4,5)14-13-23(21,2)3/h7-12,15-16,25H,13-14H2,1-6H3/b17-15+
InChIKeyPUFBTUHMDBFFKB-BMRADRMJSA-N
MW333.52 g/mol
LogP6.64
Rot. Bonds3

About N-methyl-4-[(E)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]aniline

N-methyl-4-[(E)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]aniline (PubChem CID 20672226) has the molecular formula C24H31N and a molecular weight of 333.52 g/mol. Its IUPAC name is N-methyl-4-[(E)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]aniline.

Molecular Properties

Compound NameN-methyl-4-[(E)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]aniline
PubChem CID20672226
Molecular FormulaC24H31N
Molecular Weight333.52 g/mol
Exact Mass333.25
IUPAC NameN-methyl-4-[(E)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]aniline
SMILESCNc1ccc(/C(C)=C/c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C24H31N/c1-17(19-8-10-20(25-6)11-9-19)15-18-7-12-21-22(16-18)24(4,5)14-13-23(21,2)3/h7-12,15-16,25H,13-14H2,1-6H3/b17-15+
InChIKeyPUFBTUHMDBFFKB-BMRADRMJSA-N
XLogP6.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.52
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(E)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]aniline?
The IUPAC name of N-methyl-4-[(E)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]aniline (CID 20672226) is N-methyl-4-[(E)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]aniline.
What is the SMILES notation for N-methyl-4-[(E)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]aniline?
The canonical SMILES for N-methyl-4-[(E)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]aniline is CNc1ccc(/C(C)=C/c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1.
What is the InChIKey of N-methyl-4-[(E)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]aniline?
The InChIKey is PUFBTUHMDBFFKB-BMRADRMJSA-N. The full InChI is InChI=1S/C24H31N/c1-17(19-8-10-20(25-6)11-9-19)15-18-7-12-21-22(16-18)24(4,5)14-13-23(21,2)3/h7-12,15-16,25H,13-14H2,1-6H3/b17-15+.
What are the key properties of N-methyl-4-[(E)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]aniline?
N-methyl-4-[(E)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]aniline has a molecular weight of 333.52 g/mol, XLogP of 6.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(E)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]aniline is sourced from PubChem (CID 20672226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).