2-(3,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine

C17H17F2NO — CID 79218778

IUPAC2-(3,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
SMILESFc1cc(F)cc(CCNCC2COc3ccccc32)c1
InChIInChI=1S/C17H17F2NO/c18-14-7-12(8-15(19)9-14)5-6-20-10-13-11-21-17-4-2-1-3-16(13)17/h1-4,7-9,13,20H,5-6,10-11H2
InChIKeyCQFNQFFGVVUKBH-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.27
Rot. Bonds5

About 2-(3,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine

2-(3,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine (PubChem CID 79218778) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
PubChem CID79218778
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-(3,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
SMILESFc1cc(F)cc(CCNCC2COc3ccccc32)c1
InChIInChI=1S/C17H17F2NO/c18-14-7-12(8-15(19)9-14)5-6-20-10-13-11-21-17-4-2-1-3-16(13)17/h1-4,7-9,13,20H,5-6,10-11H2
InChIKeyCQFNQFFGVVUKBH-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
2-(3,5-difluorophenyl)-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine
CID 79206157
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226752
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-amine
CID 106844833
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 79226973
6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine
CID 114008270
5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine
CID 107320375
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 79226994
1-(2,3-dihydro-1-benzofuran-3-ylmethylamino)pentan-3-ol
CID 113497582
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine
CID 79227145
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405504
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine
CID 79227067

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine (CID 79218778) is 2-(3,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine is Fc1cc(F)cc(CCNCC2COc3ccccc32)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine?
The InChIKey is CQFNQFFGVVUKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c18-14-7-12(8-15(19)9-14)5-6-20-10-13-11-21-17-4-2-1-3-16(13)17/h1-4,7-9,13,20H,5-6,10-11H2.
What are the key properties of 2-(3,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine?
2-(3,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine has a molecular weight of 289.33 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine is sourced from PubChem (CID 79218778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).