N-[(2-bromo-5-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C15H15BrFNO — CID 115466407

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESFc1ccc(Br)c(CNC2CCCc3occc32)c1
InChIInChI=1S/C15H15BrFNO/c16-13-5-4-11(17)8-10(13)9-18-14-2-1-3-15-12(14)6-7-19-15/h4-8,14,18H,1-3,9H2
InChIKeyYWNRYVGRLQKISG-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.35
Rot. Bonds3

About N-[(2-bromo-5-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-[(2-bromo-5-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 115466407) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID115466407
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESFc1ccc(Br)c(CNC2CCCc3occc32)c1
InChIInChI=1S/C15H15BrFNO/c16-13-5-4-11(17)8-10(13)9-18-14-2-1-3-15-12(14)6-7-19-15/h4-8,14,18H,1-3,9H2
InChIKeyYWNRYVGRLQKISG-UHFFFAOYSA-N
XLogP4.35
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-5-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 66159670
N-[(5-bromo-2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208223
N-[(4-bromo-3-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 103581556
N-(2-bromo-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113315137
2-bromo-6-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol
CID 61390451
N-[(5-bromo-2-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43324022
5-[(2-bromo-5-fluorophenyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81107701
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 104702264
N-[(2-methoxy-5-methylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43431605
N-[(2,3-dimethylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 54941936
N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 103779098
N-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 61015894

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 115466407) is N-[(2-bromo-5-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is Fc1ccc(Br)c(CNC2CCCc3occc32)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is YWNRYVGRLQKISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c16-13-5-4-11(17)8-10(13)9-18-14-2-1-3-15-12(14)6-7-19-15/h4-8,14,18H,1-3,9H2.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-[(2-bromo-5-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 324.19 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 115466407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).