N-[[3-(2,3-dihydro-1-benzofuran-7-yl)-4-fluorophenyl]methyl]propan-2-amine

C18H20FNO — CID 114746537

IUPACN-[[3-(2,3-dihydro-1-benzofuran-7-yl)-4-fluorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(F)c(-c2cccc3c2OCC3)c1
InChIInChI=1S/C18H20FNO/c1-12(2)20-11-13-6-7-17(19)16(10-13)15-5-3-4-14-8-9-21-18(14)15/h3-7,10,12,20H,8-9,11H2,1-2H3
InChIKeyJMYVHUHOCDHRDL-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.93
Rot. Bonds4

About N-[[3-(2,3-dihydro-1-benzofuran-7-yl)-4-fluorophenyl]methyl]propan-2-amine

N-[[3-(2,3-dihydro-1-benzofuran-7-yl)-4-fluorophenyl]methyl]propan-2-amine (PubChem CID 114746537) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[[3-(2,3-dihydro-1-benzofuran-7-yl)-4-fluorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,3-dihydro-1-benzofuran-7-yl)-4-fluorophenyl]methyl]propan-2-amine
PubChem CID114746537
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-[[3-(2,3-dihydro-1-benzofuran-7-yl)-4-fluorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(F)c(-c2cccc3c2OCC3)c1
InChIInChI=1S/C18H20FNO/c1-12(2)20-11-13-6-7-17(19)16(10-13)15-5-3-4-14-8-9-21-18(14)15/h3-7,10,12,20H,8-9,11H2,1-2H3
InChIKeyJMYVHUHOCDHRDL-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]-N-methylmethanamine
CID 114746624
N-[[3-(2,3-dihydro-1-benzofuran-7-yl)furan-2-yl]methyl]propan-2-amine
CID 106888217
N-[[4-(3,4-dihydro-2H-chromen-8-yl)-3-fluorophenyl]methyl]ethanamine
CID 114746619
N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-3-fluorophenyl]methyl]cyclopropanamine
CID 114746570
N-[[3-(2,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61033377
N-[[3-(2,4-dichlorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 63428074
N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]propan-2-amine
CID 63428027
3-(3,4-dihydro-2H-chromen-8-yl)-4-fluoroaniline
CID 114746463
N-[[4-(2,3-difluorophenyl)-3-fluorophenyl]methyl]propan-2-amine
CID 81447354
N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine
CID 114746763
N-[[3-(2-fluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408608
N-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61026035

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dihydro-1-benzofuran-7-yl)-4-fluorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2,3-dihydro-1-benzofuran-7-yl)-4-fluorophenyl]methyl]propan-2-amine (CID 114746537) is N-[[3-(2,3-dihydro-1-benzofuran-7-yl)-4-fluorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2,3-dihydro-1-benzofuran-7-yl)-4-fluorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2,3-dihydro-1-benzofuran-7-yl)-4-fluorophenyl]methyl]propan-2-amine is CC(C)NCc1ccc(F)c(-c2cccc3c2OCC3)c1.
What is the InChIKey of N-[[3-(2,3-dihydro-1-benzofuran-7-yl)-4-fluorophenyl]methyl]propan-2-amine?
The InChIKey is JMYVHUHOCDHRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12(2)20-11-13-6-7-17(19)16(10-13)15-5-3-4-14-8-9-21-18(14)15/h3-7,10,12,20H,8-9,11H2,1-2H3.
What are the key properties of N-[[3-(2,3-dihydro-1-benzofuran-7-yl)-4-fluorophenyl]methyl]propan-2-amine?
N-[[3-(2,3-dihydro-1-benzofuran-7-yl)-4-fluorophenyl]methyl]propan-2-amine has a molecular weight of 285.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-dihydro-1-benzofuran-7-yl)-4-fluorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 114746537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).