N-[[3-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]propan-2-amine

C18H18FNO — CID 114732415

IUPACN-[[3-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(-c2cc3cc(F)ccc3o2)c1
InChIInChI=1S/C18H18FNO/c1-12(2)20-11-13-4-3-5-14(8-13)18-10-15-9-16(19)6-7-17(15)21-18/h3-10,12,20H,11H2,1-2H3
InChIKeyUAAOZVFMKRMORM-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.74
Rot. Bonds4

About N-[[3-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]propan-2-amine

N-[[3-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]propan-2-amine (PubChem CID 114732415) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[[3-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]propan-2-amine
PubChem CID114732415
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC NameN-[[3-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(-c2cc3cc(F)ccc3o2)c1
InChIInChI=1S/C18H18FNO/c1-12(2)20-11-13-4-3-5-14(8-13)18-10-15-9-16(19)6-7-17(15)21-18/h3-10,12,20H,11H2,1-2H3
InChIKeyUAAOZVFMKRMORM-UHFFFAOYSA-N
XLogP4.74
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(5-fluoro-1-benzofuran-2-yl)-3-pyridinyl]methyl]propan-2-amine
CID 114732428
N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 65438994
1-[3-(5-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
CID 114731929
N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 115502487
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 107514100
3-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 114735623
N-[[3-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 79732899
N-[[3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732421
N-hydroxy-5-[(propan-2-ylamino)methyl]-1-benzofuran-2-carboxamide
CID 11425166
1-[3-(7-fluoro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114731957
N-[[3-(2,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61033377
2-[4-(diethoxyphosphorylmethyl)phenyl]-5-fluoro-1-benzofuran
CID 14970263

Frequently Asked Questions

What is the IUPAC name of N-[[3-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]propan-2-amine (CID 114732415) is N-[[3-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]propan-2-amine is CC(C)NCc1cccc(-c2cc3cc(F)ccc3o2)c1.
What is the InChIKey of N-[[3-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]propan-2-amine?
The InChIKey is UAAOZVFMKRMORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-12(2)20-11-13-4-3-5-14(8-13)18-10-15-9-16(19)6-7-17(15)21-18/h3-10,12,20H,11H2,1-2H3.
What are the key properties of N-[[3-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]propan-2-amine?
N-[[3-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]propan-2-amine has a molecular weight of 283.35 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 114732415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).