2-(4-tert-butylphenyl)-N-methyl-1-naphthalen-1-ylethanimine

C23H25N — CID 87746806

IUPAC2-(4-tert-butylphenyl)-N-methyl-1-naphthalen-1-ylethanimine
SMILESC/N=C(\Cc1ccc(C(C)(C)C)cc1)c1cccc2ccccc12
InChIInChI=1S/C23H25N/c1-23(2,3)19-14-12-17(13-15-19)16-22(24-4)21-11-7-9-18-8-5-6-10-20(18)21/h5-15H,16H2,1-4H3/b24-22+
InChIKeyUMLNOPKSVQCSAH-ZNTNEXAZSA-N
MW315.46 g/mol
LogP5.80
Rot. Bonds3

About 2-(4-tert-butylphenyl)-N-methyl-1-naphthalen-1-ylethanimine

2-(4-tert-butylphenyl)-N-methyl-1-naphthalen-1-ylethanimine (PubChem CID 87746806) has the molecular formula C23H25N and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-methyl-1-naphthalen-1-ylethanimine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-methyl-1-naphthalen-1-ylethanimine
PubChem CID87746806
Molecular FormulaC23H25N
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC Name2-(4-tert-butylphenyl)-N-methyl-1-naphthalen-1-ylethanimine
SMILESC/N=C(\Cc1ccc(C(C)(C)C)cc1)c1cccc2ccccc12
InChIInChI=1S/C23H25N/c1-23(2,3)19-14-12-17(13-15-19)16-22(24-4)21-11-7-9-18-8-5-6-10-20(18)21/h5-15H,16H2,1-4H3/b24-22+
InChIKeyUMLNOPKSVQCSAH-ZNTNEXAZSA-N
XLogP5.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-methyl-1-naphthalen-1-ylethanimine?
The IUPAC name of 2-(4-tert-butylphenyl)-N-methyl-1-naphthalen-1-ylethanimine (CID 87746806) is 2-(4-tert-butylphenyl)-N-methyl-1-naphthalen-1-ylethanimine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-methyl-1-naphthalen-1-ylethanimine?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-methyl-1-naphthalen-1-ylethanimine is C/N=C(\Cc1ccc(C(C)(C)C)cc1)c1cccc2ccccc12.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-methyl-1-naphthalen-1-ylethanimine?
The InChIKey is UMLNOPKSVQCSAH-ZNTNEXAZSA-N. The full InChI is InChI=1S/C23H25N/c1-23(2,3)19-14-12-17(13-15-19)16-22(24-4)21-11-7-9-18-8-5-6-10-20(18)21/h5-15H,16H2,1-4H3/b24-22+.
What are the key properties of 2-(4-tert-butylphenyl)-N-methyl-1-naphthalen-1-ylethanimine?
2-(4-tert-butylphenyl)-N-methyl-1-naphthalen-1-ylethanimine has a molecular weight of 315.46 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-methyl-1-naphthalen-1-ylethanimine is sourced from PubChem (CID 87746806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).