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

C17H18FNO — CID 81365124

IUPAC(1R)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(3-fluorophenyl)ethanamine
SMILESC[C@@H](NCC1COc2ccccc21)c1cccc(F)c1
InChIInChI=1S/C17H18FNO/c1-12(13-5-4-6-15(18)9-13)19-10-14-11-20-17-8-3-2-7-16(14)17/h2-9,12,14,19H,10-11H2,1H3/t12-,14?/m1/s1
InChIKeyJFMWMAYPQCVYHH-PUODRLBUSA-N
MW271.34 g/mol
LogP3.65
Rot. Bonds4

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

(1R)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(3-fluorophenyl)ethanamine (PubChem CID 81365124) 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-3-ylmethyl)-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(3-fluorophenyl)ethanamine
PubChem CID81365124
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name(1R)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(3-fluorophenyl)ethanamine
SMILESC[C@@H](NCC1COc2ccccc21)c1cccc(F)c1
InChIInChI=1S/C17H18FNO/c1-12(13-5-4-6-15(18)9-13)19-10-14-11-20-17-8-3-2-7-16(14)17/h2-9,12,14,19H,10-11H2,1H3/t12-,14?/m1/s1
InChIKeyJFMWMAYPQCVYHH-PUODRLBUSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3-fluorophenyl)ethyl]-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524304
3-(2,3-dihydro-1-benzofuran-3-yl)-2-(3-fluorophenyl)propan-1-ol
CID 79433208
(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81365797
(1S)-1-(2-bromophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 81383137
N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81364817
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylaniline
CID 79226180
1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 79227058
1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386409
(1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81364808
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid
CID 83194430
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-iodo-3-methylbutan-2-amine
CID 107859372
(1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 81395215

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(3-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(3-fluorophenyl)ethanamine (CID 81365124) is (1R)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(3-fluorophenyl)ethanamine is C[C@@H](NCC1COc2ccccc21)c1cccc(F)c1.
What is the InChIKey of (1R)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(3-fluorophenyl)ethanamine?
The InChIKey is JFMWMAYPQCVYHH-PUODRLBUSA-N. The full InChI is InChI=1S/C17H18FNO/c1-12(13-5-4-6-15(18)9-13)19-10-14-11-20-17-8-3-2-7-16(14)17/h2-9,12,14,19H,10-11H2,1H3/t12-,14?/m1/s1.
What are the key properties of (1R)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(3-fluorophenyl)ethanamine?
(1R)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(3-fluorophenyl)ethanamine has a molecular weight of 271.34 g/mol, XLogP of 3.65, 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-3-ylmethyl)-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 81365124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).