[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine

C16H17NO2 — CID 79227118

IUPAC[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine
SMILESNCc1ccc(OCC2COc3ccccc32)cc1
InChIInChI=1S/C16H17NO2/c17-9-12-5-7-14(8-6-12)18-10-13-11-19-16-4-2-1-3-15(13)16/h1-8,13H,9-11,17H2
InChIKeyBSWRXENUYOPRDA-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.70
Rot. Bonds4

About [4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine

[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine (PubChem CID 79227118) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is [4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine
PubChem CID79227118
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine
SMILESNCc1ccc(OCC2COc3ccccc32)cc1
InChIInChI=1S/C16H17NO2/c17-9-12-5-7-14(8-6-12)18-10-13-11-19-16-4-2-1-3-15(13)16/h1-8,13H,9-11,17H2
InChIKeyBSWRXENUYOPRDA-UHFFFAOYSA-N
XLogP2.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine
CID 104768013
[3-bromo-4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine
CID 79226329
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928
2-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-fluorophenyl]ethanamine
CID 107692566
4-[[4-(chloromethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
CID 104768773
1-[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-fluorophenyl]ethanamine
CID 107716051
2-chloro-5-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid
CID 106500778
4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104771987
3-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]-2,3-dihydro-1-benzofuran
CID 79219231
(1S)-1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]propan-1-amine
CID 79218494
2-[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]ethanamine
CID 104770648
3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-methoxyaniline
CID 79226564

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine?
The IUPAC name of [4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine (CID 79227118) is [4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine is NCc1ccc(OCC2COc3ccccc32)cc1.
What is the InChIKey of [4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine?
The InChIKey is BSWRXENUYOPRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c17-9-12-5-7-14(8-6-12)18-10-13-11-19-16-4-2-1-3-15(13)16/h1-8,13H,9-11,17H2.
What are the key properties of [4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine?
[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine has a molecular weight of 255.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 79227118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).