N-[(5-methyl-1-benzofuran-2-yl)methyl]aniline

C16H15NO — CID 55013176

IUPACN-[(5-methyl-1-benzofuran-2-yl)methyl]aniline
SMILESCc1ccc2oc(CNc3ccccc3)cc2c1
InChIInChI=1S/C16H15NO/c1-12-7-8-16-13(9-12)10-15(18-16)11-17-14-5-3-2-4-6-14/h2-10,17H,11H2,1H3
InChIKeyUHXIDGKDTUUOMO-UHFFFAOYSA-N
MW237.30 g/mol
LogP4.35
Rot. Bonds3

About N-[(5-methyl-1-benzofuran-2-yl)methyl]aniline

N-[(5-methyl-1-benzofuran-2-yl)methyl]aniline (PubChem CID 55013176) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(5-methyl-1-benzofuran-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-[(5-methyl-1-benzofuran-2-yl)methyl]aniline
PubChem CID55013176
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC NameN-[(5-methyl-1-benzofuran-2-yl)methyl]aniline
SMILESCc1ccc2oc(CNc3ccccc3)cc2c1
InChIInChI=1S/C16H15NO/c1-12-7-8-16-13(9-12)10-15(18-16)11-17-14-5-3-2-4-6-14/h2-10,17H,11H2,1H3
InChIKeyUHXIDGKDTUUOMO-UHFFFAOYSA-N
XLogP4.35
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1-benzofuran-2-yl)methyl]aniline?
The IUPAC name of N-[(5-methyl-1-benzofuran-2-yl)methyl]aniline (CID 55013176) is N-[(5-methyl-1-benzofuran-2-yl)methyl]aniline.
What is the SMILES notation for N-[(5-methyl-1-benzofuran-2-yl)methyl]aniline?
The canonical SMILES for N-[(5-methyl-1-benzofuran-2-yl)methyl]aniline is Cc1ccc2oc(CNc3ccccc3)cc2c1.
What is the InChIKey of N-[(5-methyl-1-benzofuran-2-yl)methyl]aniline?
The InChIKey is UHXIDGKDTUUOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-12-7-8-16-13(9-12)10-15(18-16)11-17-14-5-3-2-4-6-14/h2-10,17H,11H2,1H3.
What are the key properties of N-[(5-methyl-1-benzofuran-2-yl)methyl]aniline?
N-[(5-methyl-1-benzofuran-2-yl)methyl]aniline has a molecular weight of 237.30 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1-benzofuran-2-yl)methyl]aniline is sourced from PubChem (CID 55013176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).