1-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine

C17H17F2NO — CID 43804303

IUPAC1-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine
SMILESCC(NCc1ccc2c(c1)CCO2)c1ccc(F)cc1F
InChIInChI=1S/C17H17F2NO/c1-11(15-4-3-14(18)9-16(15)19)20-10-12-2-5-17-13(8-12)6-7-21-17/h2-5,8-9,11,20H,6-7,10H2,1H3
InChIKeyGOKHWXNXRNIACR-UHFFFAOYSA-N
MW289.32 g/mol
LogP3.75
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine

1-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine (PubChem CID 43804303) has the molecular formula C17H17F2NO and a molecular weight of 289.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine
PubChem CID43804303
Molecular FormulaC17H17F2NO
Molecular Weight289.32 g/mol
Exact Mass289.13
IUPAC Name1-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine
SMILESCC(NCc1ccc2c(c1)CCO2)c1ccc(F)cc1F
InChIInChI=1S/C17H17F2NO/c1-11(15-4-3-14(18)9-16(15)19)20-10-12-2-5-17-13(8-12)6-7-21-17/h2-5,8-9,11,20H,6-7,10H2,1H3
InChIKeyGOKHWXNXRNIACR-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81365243
1-(2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine
CID 43804139
(2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol
CID 93297893
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline
CID 43804025
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-thiophen-2-ylethanamine
CID 81398895
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 61473085
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-pyridin-2-ylethanamine
CID 78978115
(1R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 94531089
(3S)-3-(2,4-difluorophenyl)-3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]propanoic acid
CID 155954462
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904175
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 60945047
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-ethoxy-4-fluoroaniline
CID 43804400

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine (CID 43804303) is 1-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine is CC(NCc1ccc2c(c1)CCO2)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine?
The InChIKey is GOKHWXNXRNIACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-11(15-4-3-14(18)9-16(15)19)20-10-12-2-5-17-13(8-12)6-7-21-17/h2-5,8-9,11,20H,6-7,10H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine?
1-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine has a molecular weight of 289.32 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine is sourced from PubChem (CID 43804303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).