N-benzyl-3-(4-tert-butylphenyl)-2-methylprop-1-en-1-amine

C21H27N — CID 69219667

IUPACN-benzyl-3-(4-tert-butylphenyl)-2-methylprop-1-en-1-amine
SMILESCC(=CNCc1ccccc1)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H27N/c1-17(15-22-16-19-8-6-5-7-9-19)14-18-10-12-20(13-11-18)21(2,3)4/h5-13,15,22H,14,16H2,1-4H3
InChIKeyZHKGSDCTWIWGNC-UHFFFAOYSA-N
MW293.45 g/mol
LogP5.22
Rot. Bonds5

About N-benzyl-3-(4-tert-butylphenyl)-2-methylprop-1-en-1-amine

N-benzyl-3-(4-tert-butylphenyl)-2-methylprop-1-en-1-amine (PubChem CID 69219667) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is N-benzyl-3-(4-tert-butylphenyl)-2-methylprop-1-en-1-amine.

Molecular Properties

Compound NameN-benzyl-3-(4-tert-butylphenyl)-2-methylprop-1-en-1-amine
PubChem CID69219667
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC NameN-benzyl-3-(4-tert-butylphenyl)-2-methylprop-1-en-1-amine
SMILESCC(=CNCc1ccccc1)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H27N/c1-17(15-22-16-19-8-6-5-7-9-19)14-18-10-12-20(13-11-18)21(2,3)4/h5-13,15,22H,14,16H2,1-4H3
InChIKeyZHKGSDCTWIWGNC-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-tert-butylphenyl)-2-methylprop-1-en-1-amine?
The IUPAC name of N-benzyl-3-(4-tert-butylphenyl)-2-methylprop-1-en-1-amine (CID 69219667) is N-benzyl-3-(4-tert-butylphenyl)-2-methylprop-1-en-1-amine.
What is the SMILES notation for N-benzyl-3-(4-tert-butylphenyl)-2-methylprop-1-en-1-amine?
The canonical SMILES for N-benzyl-3-(4-tert-butylphenyl)-2-methylprop-1-en-1-amine is CC(=CNCc1ccccc1)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-benzyl-3-(4-tert-butylphenyl)-2-methylprop-1-en-1-amine?
The InChIKey is ZHKGSDCTWIWGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-17(15-22-16-19-8-6-5-7-9-19)14-18-10-12-20(13-11-18)21(2,3)4/h5-13,15,22H,14,16H2,1-4H3.
What are the key properties of N-benzyl-3-(4-tert-butylphenyl)-2-methylprop-1-en-1-amine?
N-benzyl-3-(4-tert-butylphenyl)-2-methylprop-1-en-1-amine has a molecular weight of 293.45 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-tert-butylphenyl)-2-methylprop-1-en-1-amine is sourced from PubChem (CID 69219667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).