1-(2-bromo-5-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine

C17H17BrFNO — CID 115864584

IUPAC1-(2-bromo-5-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
SMILESNC(CCc1ccc2c(c1)CCO2)c1cc(F)ccc1Br
InChIInChI=1S/C17H17BrFNO/c18-15-4-3-13(19)10-14(15)16(20)5-1-11-2-6-17-12(9-11)7-8-21-17/h2-4,6,9-10,16H,1,5,7-8,20H2
InChIKeyTYDDJQLRIKSEHE-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.16
Rot. Bonds4

About 1-(2-bromo-5-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine

1-(2-bromo-5-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine (PubChem CID 115864584) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
PubChem CID115864584
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
SMILESNC(CCc1ccc2c(c1)CCO2)c1cc(F)ccc1Br
InChIInChI=1S/C17H17BrFNO/c18-15-4-3-13(19)10-14(15)16(20)5-1-11-2-6-17-12(9-11)7-8-21-17/h2-4,6,9-10,16H,1,5,7-8,20H2
InChIKeyTYDDJQLRIKSEHE-UHFFFAOYSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 115864580
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-fluorophenyl)propan-1-amine
CID 65447215
1-(2-bromo-3-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 115864593
1-(2,5-dichlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 115864532
1-(3,5-dibromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 107975539
1-(4,5-dibromothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 115864469
1-(3-bromo-4-methylphenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 115864516
1-(2-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 43482575
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methyl-3-pyridinyl)propan-1-amine
CID 105152090
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 65447213
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,3-dimethylpyrazol-4-yl)propan-1-amine
CID 102803817
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
CID 65446268

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine (CID 115864584) is 1-(2-bromo-5-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine is NC(CCc1ccc2c(c1)CCO2)c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
The InChIKey is TYDDJQLRIKSEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c18-15-4-3-13(19)10-14(15)16(20)5-1-11-2-6-17-12(9-11)7-8-21-17/h2-4,6,9-10,16H,1,5,7-8,20H2.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
1-(2-bromo-5-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine has a molecular weight of 350.23 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine is sourced from PubChem (CID 115864584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).