3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-1,1,1-trifluoropropan-2-ol

C14H18F3NO2 — CID 103778642

IUPAC3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-1,1,1-trifluoropropan-2-ol
SMILESCCC(NCC(O)C(F)(F)F)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H18F3NO2/c1-2-11(18-8-13(19)14(15,16)17)9-3-4-12-10(7-9)5-6-20-12/h3-4,7,11,13,18-19H,2,5-6,8H2,1H3
InChIKeyYYMBKUFXIBBCJH-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.59
Rot. Bonds5

About 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-1,1,1-trifluoropropan-2-ol

3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 103778642) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID103778642
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-1,1,1-trifluoropropan-2-ol
SMILESCCC(NCC(O)C(F)(F)F)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H18F3NO2/c1-2-11(18-8-13(19)14(15,16)17)9-3-4-12-10(7-9)5-6-20-12/h3-4,7,11,13,18-19H,2,5-6,8H2,1H3
InChIKeyYYMBKUFXIBBCJH-UHFFFAOYSA-N
XLogP2.59
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
CID 43756451
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine
CID 62693058
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2,3-dimethylbutan-1-amine
CID 64568486
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
CID 43756597
N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 43757036
methyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]propanoate
CID 43774755
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)propan-1-amine
CID 43778443
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2-methylcyclopropyl)methyl]propan-1-amine
CID 115712953
2-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-N-ethyl-N-methylacetamide
CID 104926706
N-(2-cyclohexylethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 63450791
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(oxan-4-ylmethyl)propan-1-amine
CID 63727497
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43768025

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-1,1,1-trifluoropropan-2-ol (CID 103778642) is 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-1,1,1-trifluoropropan-2-ol is CCC(NCC(O)C(F)(F)F)c1ccc2c(c1)CCO2.
What is the InChIKey of 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is YYMBKUFXIBBCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-2-11(18-8-13(19)14(15,16)17)9-3-4-12-10(7-9)5-6-20-12/h3-4,7,11,13,18-19H,2,5-6,8H2,1H3.
What are the key properties of 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-1,1,1-trifluoropropan-2-ol?
3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 289.30 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 103778642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).