(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-tert-butylphenyl)-N-methylprop-2-en-1-amine

C23H27NO — CID 127050271

IUPAC(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-tert-butylphenyl)-N-methylprop-2-en-1-amine
SMILESCN(C/C=C/c1ccc(C(C)(C)C)cc1)Cc1cccc2ccoc12
InChIInChI=1S/C23H27NO/c1-23(2,3)21-12-10-18(11-13-21)7-6-15-24(4)17-20-9-5-8-19-14-16-25-22(19)20/h5-14,16H,15,17H2,1-4H3/b7-6+
InChIKeyCDPVLUKOHJSXBN-VOTSOKGWSA-N
MW333.47 g/mol
LogP5.88
Rot. Bonds5

About (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-tert-butylphenyl)-N-methylprop-2-en-1-amine

(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-tert-butylphenyl)-N-methylprop-2-en-1-amine (PubChem CID 127050271) has the molecular formula C23H27NO and a molecular weight of 333.47 g/mol. Its IUPAC name is (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-tert-butylphenyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-tert-butylphenyl)-N-methylprop-2-en-1-amine
PubChem CID127050271
Molecular FormulaC23H27NO
Molecular Weight333.47 g/mol
Exact Mass333.21
IUPAC Name(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-tert-butylphenyl)-N-methylprop-2-en-1-amine
SMILESCN(C/C=C/c1ccc(C(C)(C)C)cc1)Cc1cccc2ccoc12
InChIInChI=1S/C23H27NO/c1-23(2,3)21-12-10-18(11-13-21)7-6-15-24(4)17-20-9-5-8-19-14-16-25-22(19)20/h5-14,16H,15,17H2,1-4H3/b7-6+
InChIKeyCDPVLUKOHJSXBN-VOTSOKGWSA-N
XLogP5.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.47
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-tert-butylphenyl)-N-methylprop-2-en-1-amine?
The IUPAC name of (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-tert-butylphenyl)-N-methylprop-2-en-1-amine (CID 127050271) is (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-tert-butylphenyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-tert-butylphenyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-tert-butylphenyl)-N-methylprop-2-en-1-amine is CN(C/C=C/c1ccc(C(C)(C)C)cc1)Cc1cccc2ccoc12.
What is the InChIKey of (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-tert-butylphenyl)-N-methylprop-2-en-1-amine?
The InChIKey is CDPVLUKOHJSXBN-VOTSOKGWSA-N. The full InChI is InChI=1S/C23H27NO/c1-23(2,3)21-12-10-18(11-13-21)7-6-15-24(4)17-20-9-5-8-19-14-16-25-22(19)20/h5-14,16H,15,17H2,1-4H3/b7-6+.
What are the key properties of (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-tert-butylphenyl)-N-methylprop-2-en-1-amine?
(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-tert-butylphenyl)-N-methylprop-2-en-1-amine has a molecular weight of 333.47 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-benzofuran-7-ylmethyl)-3-(4-tert-butylphenyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 127050271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).