[3-(2-methylpropyl)-5-phenyl-1-benzofuran-2-yl]methanamine

C19H21NO — CID 63488537

IUPAC[3-(2-methylpropyl)-5-phenyl-1-benzofuran-2-yl]methanamine
SMILESCC(C)Cc1c(CN)oc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C19H21NO/c1-13(2)10-16-17-11-15(14-6-4-3-5-7-14)8-9-18(17)21-19(16)12-20/h3-9,11,13H,10,12,20H2,1-2H3
InChIKeyZUAGXFNZOANLQO-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.76
Rot. Bonds4

About [3-(2-methylpropyl)-5-phenyl-1-benzofuran-2-yl]methanamine

[3-(2-methylpropyl)-5-phenyl-1-benzofuran-2-yl]methanamine (PubChem CID 63488537) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is [3-(2-methylpropyl)-5-phenyl-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[3-(2-methylpropyl)-5-phenyl-1-benzofuran-2-yl]methanamine
PubChem CID63488537
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name[3-(2-methylpropyl)-5-phenyl-1-benzofuran-2-yl]methanamine
SMILESCC(C)Cc1c(CN)oc2ccc(-c3ccccc3)cc12
InChIInChI=1S/C19H21NO/c1-13(2)10-16-17-11-15(14-6-4-3-5-7-14)8-9-18(17)21-19(16)12-20/h3-9,11,13H,10,12,20H2,1-2H3
InChIKeyZUAGXFNZOANLQO-UHFFFAOYSA-N
XLogP4.76
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-methylpropyl)-7-phenyl-1-benzofuran-2-yl]methanamine
CID 114375378
2-phenyl-8-(4-propan-2-ylphenyl)dibenzofuran
CID 67964002
3-(2-methylpropyl)-2-phenyl-1-benzofuran
CID 11572364
[5-benzyl-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
CID 114377183
2-butan-2-yl-8-phenyldibenzofuran;ethane
CID 142405868
(5-phenoxy-3-propyl-1-benzofuran-2-yl)methanamine
CID 114375977
[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 114375077
9,27-diphenyl-13,17,21,31-tetraoxanonacyclo[18.14.0.03,18.04,16.06,14.07,12.022,34.024,32.025,30]tetratriaconta-1(20),2,4(16),5,7(12),8,10,14,18,22,24(32),25(30),26,28,33-pentadecaene
CID 58004021
5-phenyl-3-propyl-1-benzofuran-2-carboxylic acid
CID 62381402
2,8-bis[4-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzofuran
CID 162785544
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylpropan-2-amine
CID 62425555
ethane;2-(3-methylphenyl)-8-phenyldibenzofuran
CID 143904784

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)-5-phenyl-1-benzofuran-2-yl]methanamine?
The IUPAC name of [3-(2-methylpropyl)-5-phenyl-1-benzofuran-2-yl]methanamine (CID 63488537) is [3-(2-methylpropyl)-5-phenyl-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [3-(2-methylpropyl)-5-phenyl-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [3-(2-methylpropyl)-5-phenyl-1-benzofuran-2-yl]methanamine is CC(C)Cc1c(CN)oc2ccc(-c3ccccc3)cc12.
What is the InChIKey of [3-(2-methylpropyl)-5-phenyl-1-benzofuran-2-yl]methanamine?
The InChIKey is ZUAGXFNZOANLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-13(2)10-16-17-11-15(14-6-4-3-5-7-14)8-9-18(17)21-19(16)12-20/h3-9,11,13H,10,12,20H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)-5-phenyl-1-benzofuran-2-yl]methanamine?
[3-(2-methylpropyl)-5-phenyl-1-benzofuran-2-yl]methanamine has a molecular weight of 279.38 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)-5-phenyl-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 63488537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).