[3-(2-methylpropyl)-7-phenyl-1-benzofuran-2-yl]methanamine

C19H21NO — CID 114375378

IUPAC[3-(2-methylpropyl)-7-phenyl-1-benzofuran-2-yl]methanamine
SMILESCC(C)Cc1c(CN)oc2c(-c3ccccc3)cccc12
InChIInChI=1S/C19H21NO/c1-13(2)11-17-16-10-6-9-15(14-7-4-3-5-8-14)19(16)21-18(17)12-20/h3-10,13H,11-12,20H2,1-2H3
InChIKeyJGURGJNECZQRRH-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.76
Rot. Bonds4

About [3-(2-methylpropyl)-7-phenyl-1-benzofuran-2-yl]methanamine

[3-(2-methylpropyl)-7-phenyl-1-benzofuran-2-yl]methanamine (PubChem CID 114375378) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is [3-(2-methylpropyl)-7-phenyl-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[3-(2-methylpropyl)-7-phenyl-1-benzofuran-2-yl]methanamine
PubChem CID114375378
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name[3-(2-methylpropyl)-7-phenyl-1-benzofuran-2-yl]methanamine
SMILESCC(C)Cc1c(CN)oc2c(-c3ccccc3)cccc12
InChIInChI=1S/C19H21NO/c1-13(2)11-17-16-10-6-9-15(14-7-4-3-5-8-14)19(16)21-18(17)12-20/h3-10,13H,11-12,20H2,1-2H3
InChIKeyJGURGJNECZQRRH-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

Analyze [3-(2-methylpropyl)-7-phenyl-1-benzofuran-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 114375077
[3-(2-methylpropyl)-5-phenyl-1-benzofuran-2-yl]methanamine
CID 63488537
N-[(3-ethyl-7-phenyl-1-benzofuran-2-yl)methyl]ethanamine
CID 104842836
4-phenyl-6-[4-(4-propan-2-ylphenyl)phenyl]dibenzofuran
CID 67964041
(2,6-diphenylphenyl)methanamine
CID 72713892
[4,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 114376411
3-(2-methylpropyl)-2-phenyl-1-benzofuran
CID 11572364
1-(2-methylpropyl)-4,5-diphenylnaphthalene
CID 175424835
(4-dibenzofuran-4-ylphenyl)methanamine
CID 67186774
N-[[7-ethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 114376971
1,6-diphenyldibenzofuran
CID 145331756
4-[4-[1-(4-phenylphenyl)ethyl]phenyl]dibenzofuran
CID 174178014

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)-7-phenyl-1-benzofuran-2-yl]methanamine?
The IUPAC name of [3-(2-methylpropyl)-7-phenyl-1-benzofuran-2-yl]methanamine (CID 114375378) is [3-(2-methylpropyl)-7-phenyl-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [3-(2-methylpropyl)-7-phenyl-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [3-(2-methylpropyl)-7-phenyl-1-benzofuran-2-yl]methanamine is CC(C)Cc1c(CN)oc2c(-c3ccccc3)cccc12.
What is the InChIKey of [3-(2-methylpropyl)-7-phenyl-1-benzofuran-2-yl]methanamine?
The InChIKey is JGURGJNECZQRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-13(2)11-17-16-10-6-9-15(14-7-4-3-5-8-14)19(16)21-18(17)12-20/h3-10,13H,11-12,20H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)-7-phenyl-1-benzofuran-2-yl]methanamine?
[3-(2-methylpropyl)-7-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)-7-phenyl-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 114375378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).