N-[[5-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methyl]propan-2-amine

C18H20FNO — CID 63019020

IUPACN-[[5-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(-c2ccc3c(c2)COC3)ccc1F
InChIInChI=1S/C18H20FNO/c1-12(2)20-9-16-7-14(5-6-18(16)19)13-3-4-15-10-21-11-17(15)8-13/h3-8,12,20H,9-11H2,1-2H3
InChIKeyLVDDUJVYUUINOS-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.02
Rot. Bonds4

About N-[[5-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methyl]propan-2-amine

N-[[5-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methyl]propan-2-amine (PubChem CID 63019020) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[[5-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methyl]propan-2-amine
PubChem CID63019020
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-[[5-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(-c2ccc3c(c2)COC3)ccc1F
InChIInChI=1S/C18H20FNO/c1-12(2)20-9-16-7-14(5-6-18(16)19)13-3-4-15-10-21-11-17(15)8-13/h3-8,12,20H,9-11H2,1-2H3
InChIKeyLVDDUJVYUUINOS-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(3-bromophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 115503889
N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]propan-2-amine
CID 63962668
N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 54980296
1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine
CID 54910232
N-[[2-fluoro-5-(6-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine
CID 55166973
N-[[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]propan-2-amine
CID 106879353
N-[[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 79742526
N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 63424149
N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]propan-2-amine
CID 63428027
1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine
CID 61032684
N-(3,4-dihydro-1H-isochromen-7-ylmethyl)propan-2-amine
CID 59487278
N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-fluorophenyl]methyl]ethanamine
CID 81441574

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methyl]propan-2-amine (CID 63019020) is N-[[5-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methyl]propan-2-amine is CC(C)NCc1cc(-c2ccc3c(c2)COC3)ccc1F.
What is the InChIKey of N-[[5-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methyl]propan-2-amine?
The InChIKey is LVDDUJVYUUINOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12(2)20-9-16-7-14(5-6-18(16)19)13-3-4-15-10-21-11-17(15)8-13/h3-8,12,20H,9-11H2,1-2H3.
What are the key properties of N-[[5-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methyl]propan-2-amine?
N-[[5-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methyl]propan-2-amine has a molecular weight of 285.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 63019020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).