(1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylphenyl)ethanamine

C18H20FNO — CID 81364235

IUPAC(1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@H](C)NCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C18H20FNO/c1-12-5-3-4-6-17(12)13(2)20-11-16-10-14-9-15(19)7-8-18(14)21-16/h3-9,13,16,20H,10-11H2,1-2H3/t13-,16?/m0/s1
InChIKeyUGHFVEZIDOZBJJ-KNVGNIICSA-N
MW285.36 g/mol
LogP3.79
Rot. Bonds4

About (1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylphenyl)ethanamine

(1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylphenyl)ethanamine (PubChem CID 81364235) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is (1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylphenyl)ethanamine
PubChem CID81364235
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name(1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@H](C)NCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C18H20FNO/c1-12-5-3-4-6-17(12)13(2)20-11-16-10-14-9-15(19)7-8-18(14)21-16/h3-9,13,16,20H,10-11H2,1-2H3/t13-,16?/m0/s1
InChIKeyUGHFVEZIDOZBJJ-KNVGNIICSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenylethanamine
CID 66364892
1-(2,5-dimethylfuran-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 66364691
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 66363891
(1R)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81409531
1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 66364285
1-(3-fluorophenyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 66361926
2-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82938249
1-chloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylpentan-3-amine
CID 106353817
(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81365797
(1R)-1-cyclohexyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 81385411
N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylbenzamide
CID 92756956
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 66363330

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylphenyl)ethanamine (CID 81364235) is (1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylphenyl)ethanamine is Cc1ccccc1[C@H](C)NCC1Cc2cc(F)ccc2O1.
What is the InChIKey of (1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is UGHFVEZIDOZBJJ-KNVGNIICSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12-5-3-4-6-17(12)13(2)20-11-16-10-14-9-15(19)7-8-18(14)21-16/h3-9,13,16,20H,10-11H2,1-2H3/t13-,16?/m0/s1.
What are the key properties of (1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylphenyl)ethanamine?
(1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 285.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 81364235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).