(1S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(3-fluorophenyl)ethanamine

C18H20FNO — CID 81352058

IUPAC(1S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(3-fluorophenyl)ethanamine
SMILESC[C@H](NCCc1ccc2c(c1)CCO2)c1cccc(F)c1
InChIInChI=1S/C18H20FNO/c1-13(15-3-2-4-17(19)12-15)20-9-7-14-5-6-18-16(11-14)8-10-21-18/h2-6,11-13,20H,7-10H2,1H3/t13-/m0/s1
InChIKeyJXVHZTYZJUNGJL-ZDUSSCGKSA-N
MW285.36 g/mol
LogP3.65
Rot. Bonds5

About (1S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(3-fluorophenyl)ethanamine

(1S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(3-fluorophenyl)ethanamine (PubChem CID 81352058) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is (1S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(3-fluorophenyl)ethanamine
PubChem CID81352058
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name(1S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(3-fluorophenyl)ethanamine
SMILESC[C@H](NCCc1ccc2c(c1)CCO2)c1cccc(F)c1
InChIInChI=1S/C18H20FNO/c1-13(15-3-2-4-17(19)12-15)20-9-7-14-5-6-18-16(11-14)8-10-21-18/h2-6,11-13,20H,7-10H2,1H3/t13-/m0/s1
InChIKeyJXVHZTYZJUNGJL-ZDUSSCGKSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81365243
(1S)-1-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 81375305
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-fluorophenyl)propan-1-amine
CID 65447215
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111563861
1-bromo-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propan-2-amine
CID 107859705
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pentan-2-ol
CID 113376192
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]-2-(3-fluorophenyl)acetamide
CID 71986955
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 60945047
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43776500
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,6-difluoroaniline
CID 65429911
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-fluoro-2-methylaniline
CID 65431040
2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 65444828

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(3-fluorophenyl)ethanamine?
The IUPAC name of (1S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(3-fluorophenyl)ethanamine (CID 81352058) is (1S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for (1S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for (1S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(3-fluorophenyl)ethanamine is C[C@H](NCCc1ccc2c(c1)CCO2)c1cccc(F)c1.
What is the InChIKey of (1S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(3-fluorophenyl)ethanamine?
The InChIKey is JXVHZTYZJUNGJL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20FNO/c1-13(15-3-2-4-17(19)12-15)20-9-7-14-5-6-18-16(11-14)8-10-21-18/h2-6,11-13,20H,7-10H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(3-fluorophenyl)ethanamine?
(1S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(3-fluorophenyl)ethanamine has a molecular weight of 285.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 81352058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).