N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine

C16H17NO — CID 19063201

IUPACN-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
SMILESc1ccc(CNCC2Cc3ccccc3O2)cc1
InChIInChI=1S/C16H17NO/c1-2-6-13(7-3-1)11-17-12-15-10-14-8-4-5-9-16(14)18-15/h1-9,15,17H,10-12H2
InChIKeyAILVIZGITAEIBA-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.78
Rot. Bonds4

About N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine

N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine (PubChem CID 19063201) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound NameN-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
PubChem CID19063201
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
SMILESc1ccc(CNCC2Cc3ccccc3O2)cc1
InChIInChI=1S/C16H17NO/c1-2-6-13(7-3-1)11-17-12-15-10-14-8-4-5-9-16(14)18-15/h1-9,15,17H,10-12H2
InChIKeyAILVIZGITAEIBA-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 63050382
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 54895787
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]methanamine
CID 63646715
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
N-[(3-bromo-4-chlorophenyl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 83230829
N-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 54895688
1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
CID 62338719
N-[(1R)-1-[4-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]phenyl]ethyl]methanesulfonamide
CID 90142378
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 62998098
1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 60752409

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine?
The IUPAC name of N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine (CID 19063201) is N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine is c1ccc(CNCC2Cc3ccccc3O2)cc1.
What is the InChIKey of N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine?
The InChIKey is AILVIZGITAEIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-6-13(7-3-1)11-17-12-15-10-14-8-4-5-9-16(14)18-15/h1-9,15,17H,10-12H2.
What are the key properties of N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine?
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine has a molecular weight of 239.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 19063201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).