3-amino-2-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol

C17H18BrNO2 — CID 65187604

IUPAC3-amino-2-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
SMILESNCC(c1cccc(Br)c1)C(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H18BrNO2/c18-14-3-1-2-11(9-14)15(10-19)17(20)13-4-5-16-12(8-13)6-7-21-16/h1-5,8-9,15,17,20H,6-7,10,19H2
InChIKeyLJMNUHBSGZFEKP-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.16
Rot. Bonds4

About 3-amino-2-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol

3-amino-2-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol (PubChem CID 65187604) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 3-amino-2-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
PubChem CID65187604
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name3-amino-2-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
SMILESNCC(c1cccc(Br)c1)C(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H18BrNO2/c18-14-3-1-2-11(9-14)15(10-19)17(20)13-4-5-16-12(8-13)6-7-21-16/h1-5,8-9,15,17,20H,6-7,10,19H2
InChIKeyLJMNUHBSGZFEKP-UHFFFAOYSA-N
XLogP3.16
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-fluorophenyl)propan-1-ol
CID 65185260
(1S)-1-(3-bromophenyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 81382292
3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpropan-1-ol
CID 65189468
1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol
CID 103454434
1-(2,3-dihydro-1-benzofuran-5-yl)-3-sulfanylpropane-1,2-diol
CID 170820027
3-amino-2-(3-bromophenyl)-1-(2,6-difluorophenyl)propan-1-ol
CID 65188287
3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol
CID 65188028
1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol
CID 65187712
3-amino-2-(3-bromophenyl)-1-cyclopropylpropan-1-ol
CID 65187659
2,3-dihydro-1-benzofuran-5-yl-(3-methylphenyl)methanol
CID 61100251
1-(2,3-dihydro-1-benzofuran-5-yl)-4-(methylamino)butane-1,2-diol
CID 171890368
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol (CID 65187604) is 3-amino-2-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol is NCC(c1cccc(Br)c1)C(O)c1ccc2c(c1)CCO2.
What is the InChIKey of 3-amino-2-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The InChIKey is LJMNUHBSGZFEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c18-14-3-1-2-11(9-14)15(10-19)17(20)13-4-5-16-12(8-13)6-7-21-16/h1-5,8-9,15,17,20H,6-7,10,19H2.
What are the key properties of 3-amino-2-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
3-amino-2-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol has a molecular weight of 348.24 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol is sourced from PubChem (CID 65187604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).