N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline

C15H15NO — CID 54888631

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
SMILESc1ccc(NCC2Cc3ccccc3O2)cc1
InChIInChI=1S/C15H15NO/c1-2-7-13(8-3-1)16-11-14-10-12-6-4-5-9-15(12)17-14/h1-9,14,16H,10-11H2
InChIKeyNIBDYQPMEHGUOJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.10
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline (PubChem CID 54888631) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
PubChem CID54888631
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
SMILESc1ccc(NCC2Cc3ccccc3O2)cc1
InChIInChI=1S/C15H15NO/c1-2-7-13(8-3-1)16-11-14-10-12-6-4-5-9-15(12)17-14/h1-9,14,16H,10-11H2
InChIKeyNIBDYQPMEHGUOJ-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-phenylbenzene-1,4-diamine
CID 110179031
4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)benzoic acid
CID 62233384
4-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 66365408
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-2-carboxylic acid
CID 62233203
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,5-diamine
CID 80652598
5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)furan-2-carboxylic acid
CID 62233383
2-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 66365211
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 79036025
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,6-diamine
CID 78988897

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline (CID 54888631) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline is c1ccc(NCC2Cc3ccccc3O2)cc1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline?
The InChIKey is NIBDYQPMEHGUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-2-7-13(8-3-1)16-11-14-10-12-6-4-5-9-15(12)17-14/h1-9,14,16H,10-11H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline has a molecular weight of 225.29 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline is sourced from PubChem (CID 54888631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).