N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine

C16H15BrFNO — CID 82963206

IUPACN-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESCC(Nc1ccc2c(c1)CCO2)c1cc(Br)ccc1F
InChIInChI=1S/C16H15BrFNO/c1-10(14-9-12(17)2-4-15(14)18)19-13-3-5-16-11(8-13)6-7-20-16/h2-5,8-10,19H,6-7H2,1H3
InChIKeyIJFOKYCKGWTYLH-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.70
Rot. Bonds3

About N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine

N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 82963206) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
PubChem CID82963206
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC NameN-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESCC(Nc1ccc2c(c1)CCO2)c1cc(Br)ccc1F
InChIInChI=1S/C16H15BrFNO/c1-10(14-9-12(17)2-4-15(14)18)19-13-3-5-16-11(8-13)6-7-20-16/h2-5,8-10,19H,6-7H2,1H3
InChIKeyIJFOKYCKGWTYLH-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732776
N-[1-(2,3,4-trichlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43788569
N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-fluoro-3-methylaniline
CID 82964329
N-[1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732693
4-[1-(5-bromo-2-fluorophenyl)ethylamino]phenol
CID 82964843
2-[1-(2,3-dihydro-1-benzofuran-5-ylamino)ethyl]-5-methylphenol
CID 43732552
N-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43426557
5-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 82963519
5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline
CID 82963196
N-[1-(3-methylpyrazin-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 102613241
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 82964735
N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethynylaniline
CID 82961346

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine (CID 82963206) is N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine is CC(Nc1ccc2c(c1)CCO2)c1cc(Br)ccc1F.
What is the InChIKey of N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is IJFOKYCKGWTYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-10(14-9-12(17)2-4-15(14)18)19-13-3-5-16-11(8-13)6-7-20-16/h2-5,8-10,19H,6-7H2,1H3.
What are the key properties of N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine?
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 336.20 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 82963206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).