(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-fluorophenyl)ethanamine

C17H18FNO — CID 81365797

IUPAC(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-fluorophenyl)ethanamine
SMILESC[C@@H](NCC1Cc2ccccc2O1)c1cccc(F)c1
InChIInChI=1S/C17H18FNO/c1-12(13-6-4-7-15(18)9-13)19-11-16-10-14-5-2-3-8-17(14)20-16/h2-9,12,16,19H,10-11H2,1H3/t12-,16?/m1/s1
InChIKeyFXGFNWMCIVHCML-ZGTOLYCTSA-N
MW271.34 g/mol
LogP3.48
Rot. Bonds4

About (1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-fluorophenyl)ethanamine

(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-fluorophenyl)ethanamine (PubChem CID 81365797) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is (1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-fluorophenyl)ethanamine
PubChem CID81365797
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-fluorophenyl)ethanamine
SMILESC[C@@H](NCC1Cc2ccccc2O1)c1cccc(F)c1
InChIInChI=1S/C17H18FNO/c1-12(13-6-4-7-15(18)9-13)19-11-16-10-14-5-2-3-8-17(14)20-16/h2-9,12,16,19H,10-11H2,1H3/t12-,16?/m1/s1
InChIKeyFXGFNWMCIVHCML-ZGTOLYCTSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-fluorophenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 66361926
(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 79036025
1-(3-bromophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 61003691
(1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenylethanamine
CID 66364892
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 61004141
(1S)-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(3-chlorophenyl)ethanamine
CID 81370641
1-(5-bromofuran-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 104652832
(1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81364235
(1R)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81409531
(1R)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81365124
(1S)-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenylethanamine
CID 66392619
2-[3-bromo-2-(3-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran
CID 79431712

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-fluorophenyl)ethanamine (CID 81365797) is (1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-fluorophenyl)ethanamine is C[C@@H](NCC1Cc2ccccc2O1)c1cccc(F)c1.
What is the InChIKey of (1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-fluorophenyl)ethanamine?
The InChIKey is FXGFNWMCIVHCML-ZGTOLYCTSA-N. The full InChI is InChI=1S/C17H18FNO/c1-12(13-6-4-7-15(18)9-13)19-11-16-10-14-5-2-3-8-17(14)20-16/h2-9,12,16,19H,10-11H2,1H3/t12-,16?/m1/s1.
What are the key properties of (1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-fluorophenyl)ethanamine?
(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-fluorophenyl)ethanamine has a molecular weight of 271.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 81365797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).