1-(dimethylamino)-3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propan-2-ol

C14H19FN2O2 — CID 111579203

IUPAC1-(dimethylamino)-3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propan-2-ol
SMILESCN(C)CC(O)CNCc1cc2cc(F)ccc2o1
InChIInChI=1S/C14H19FN2O2/c1-17(2)9-12(18)7-16-8-13-6-10-5-11(15)3-4-14(10)19-13/h3-6,12,16,18H,7-9H2,1-2H3
InChIKeyFWFJYDNACPEWSV-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.58
Rot. Bonds6

About 1-(dimethylamino)-3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propan-2-ol

1-(dimethylamino)-3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propan-2-ol (PubChem CID 111579203) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propan-2-ol
PubChem CID111579203
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-(dimethylamino)-3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propan-2-ol
SMILESCN(C)CC(O)CNCc1cc2cc(F)ccc2o1
InChIInChI=1S/C14H19FN2O2/c1-17(2)9-12(18)7-16-8-13-6-10-5-11(15)3-4-14(10)19-13/h3-6,12,16,18H,7-9H2,1-2H3
InChIKeyFWFJYDNACPEWSV-UHFFFAOYSA-N
XLogP1.58
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)ethanol
CID 114726918
2-[(5-fluoro-1-benzofuran-2-yl)methylamino]-1-(furan-2-yl)ethanol
CID 111579089
N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 65438994
[1-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol
CID 111579350
3-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)propan-1-ol
CID 114727140
4-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120963033
2-[(5-fluoro-1-benzofuran-2-yl)methylamino]-2-(3,4,5-trifluorophenyl)ethanol
CID 109380276
2-[3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propoxy]ethanol
CID 110019175
1-(dimethylamino)-3-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]propan-2-ol
CID 111579184
N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 114732869
1-(dimethylamino)-3-(4-fluoroanilino)propan-2-ol
CID 60897390
5-fluoro-2-(propan-2-yloxymethyl)-1-benzofuran
CID 117175998

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propan-2-ol (CID 111579203) is 1-(dimethylamino)-3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propan-2-ol is CN(C)CC(O)CNCc1cc2cc(F)ccc2o1.
What is the InChIKey of 1-(dimethylamino)-3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propan-2-ol?
The InChIKey is FWFJYDNACPEWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-17(2)9-12(18)7-16-8-13-6-10-5-11(15)3-4-14(10)19-13/h3-6,12,16,18H,7-9H2,1-2H3.
What are the key properties of 1-(dimethylamino)-3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propan-2-ol?
1-(dimethylamino)-3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propan-2-ol has a molecular weight of 266.32 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 111579203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).