[4-(2-methyl-1-benzofuran-3-yl)phenyl]methanamine

C16H15NO — CID 116987372

IUPAC[4-(2-methyl-1-benzofuran-3-yl)phenyl]methanamine
SMILESCc1oc2ccccc2c1-c1ccc(CN)cc1
InChIInChI=1S/C16H15NO/c1-11-16(13-8-6-12(10-17)7-9-13)14-4-2-3-5-15(14)18-11/h2-9H,10,17H2,1H3
InChIKeyXFNNAHZJUXJCBY-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.87
Rot. Bonds2

About [4-(2-methyl-1-benzofuran-3-yl)phenyl]methanamine

[4-(2-methyl-1-benzofuran-3-yl)phenyl]methanamine (PubChem CID 116987372) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is [4-(2-methyl-1-benzofuran-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-methyl-1-benzofuran-3-yl)phenyl]methanamine
PubChem CID116987372
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name[4-(2-methyl-1-benzofuran-3-yl)phenyl]methanamine
SMILESCc1oc2ccccc2c1-c1ccc(CN)cc1
InChIInChI=1S/C16H15NO/c1-11-16(13-8-6-12(10-17)7-9-13)14-4-2-3-5-15(14)18-11/h2-9H,10,17H2,1H3
InChIKeyXFNNAHZJUXJCBY-UHFFFAOYSA-N
XLogP3.87
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methyl-1-benzofuran-3-yl)aniline
CID 116987369
(4-dibenzofuran-4-ylphenyl)methanamine
CID 67186774
CID 59413433
CID 59413433
2-dibenzofuran-4-yl-5-(2-methyl-1-benzofuran-3-yl)pyridine
CID 171576904
(NE)-N-(2-methyl-3-phenylchromen-4-ylidene)hydroxylamine
CID 13196582
6-[10-(2-methyl-1-benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 170212397
[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methanamine;hydrochloride
CID 155943661
6,11-bis(4-methylphenyl)indeno[1,2-c]chromene
CID 71490854
2,3-dimethyl-1-benzofuran;ethane
CID 142047308
3-methyl-2-(2-methyl-1-benzofuran-3-yl)butan-1-amine
CID 116987428
3-methyl-3-(2-methyl-1-benzofuran-3-yl)butan-1-amine
CID 116987358
2-(2-methyl-1-benzofuran-3-yl)-1H-imidazole
CID 70052082

Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-1-benzofuran-3-yl)phenyl]methanamine?
The IUPAC name of [4-(2-methyl-1-benzofuran-3-yl)phenyl]methanamine (CID 116987372) is [4-(2-methyl-1-benzofuran-3-yl)phenyl]methanamine.
What is the SMILES notation for [4-(2-methyl-1-benzofuran-3-yl)phenyl]methanamine?
The canonical SMILES for [4-(2-methyl-1-benzofuran-3-yl)phenyl]methanamine is Cc1oc2ccccc2c1-c1ccc(CN)cc1.
What is the InChIKey of [4-(2-methyl-1-benzofuran-3-yl)phenyl]methanamine?
The InChIKey is XFNNAHZJUXJCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-11-16(13-8-6-12(10-17)7-9-13)14-4-2-3-5-15(14)18-11/h2-9H,10,17H2,1H3.
What are the key properties of [4-(2-methyl-1-benzofuran-3-yl)phenyl]methanamine?
[4-(2-methyl-1-benzofuran-3-yl)phenyl]methanamine has a molecular weight of 237.30 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-1-benzofuran-3-yl)phenyl]methanamine is sourced from PubChem (CID 116987372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).