1-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylmethoxymethanamine

C16H17NO2 — CID 82709471

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylmethoxymethanamine
SMILESc1ccc(CONCc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C16H17NO2/c1-2-4-13(5-3-1)12-19-17-11-14-6-7-16-15(10-14)8-9-18-16/h1-7,10,17H,8-9,11-12H2
InChIKeyWUXIROGZYIMDDT-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.84
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylmethoxymethanamine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylmethoxymethanamine (PubChem CID 82709471) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylmethoxymethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylmethoxymethanamine
PubChem CID82709471
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylmethoxymethanamine
SMILESc1ccc(CONCc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C16H17NO2/c1-2-4-13(5-3-1)12-19-17-11-14-6-7-16-15(10-14)8-9-18-16/h1-7,10,17H,8-9,11-12H2
InChIKeyWUXIROGZYIMDDT-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(phenylmethoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55694577
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenoxyethanamine
CID 61038414
phenyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate
CID 110787080
(2R)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3-phenylpropan-1-ol
CID 104922890
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 55806591
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(methoxymethyl)aniline
CID 43804284
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
1-(2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-2-amine
CID 62722576
2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-oxoacetic acid
CID 115141351
1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-phenylmethanamine
CID 43804387
[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213219
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylmethoxymethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylmethoxymethanamine (CID 82709471) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylmethoxymethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylmethoxymethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylmethoxymethanamine is c1ccc(CONCc2ccc3c(c2)CCO3)cc1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylmethoxymethanamine?
The InChIKey is WUXIROGZYIMDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-2-4-13(5-3-1)12-19-17-11-14-6-7-16-15(10-14)8-9-18-16/h1-7,10,17H,8-9,11-12H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylmethoxymethanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylmethoxymethanamine has a molecular weight of 255.32 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylmethoxymethanamine is sourced from PubChem (CID 82709471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).