[1-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol

C14H16FNO2 — CID 111579350

IUPAC[1-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2cc3cc(F)ccc3o2)CC1
InChIInChI=1S/C14H16FNO2/c15-11-1-2-13-10(5-11)6-12(18-13)7-16-8-14(9-17)3-4-14/h1-2,5-6,16-17H,3-4,7-9H2
InChIKeyBVQNRKVQLQLYFR-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.43
Rot. Bonds5

About [1-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol

[1-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol (PubChem CID 111579350) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is [1-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol
PubChem CID111579350
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name[1-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol
SMILESOCC1(CNCc2cc3cc(F)ccc3o2)CC1
InChIInChI=1S/C14H16FNO2/c15-11-1-2-13-10(5-11)6-12(18-13)7-16-8-14(9-17)3-4-14/h1-2,5-6,16-17H,3-4,7-9H2
InChIKeyBVQNRKVQLQLYFR-UHFFFAOYSA-N
XLogP2.43
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol with MolForge

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Related Compounds

[1-[[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol
CID 111778122
4-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120963033
N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 65438994
1-(dimethylamino)-3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propan-2-ol
CID 111579203
2-[(5-fluoro-1-benzofuran-2-yl)methylamino]-1-(furan-2-yl)ethanol
CID 111579089
[1-[[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclopropyl]methanol
CID 79479183
[1-[[(4-fluoro-2-methylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 112697662
[1-[[(2,6-difluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478439
[1-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243621
[1-[[(2-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478431
[1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358933
N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 114732869

Frequently Asked Questions

What is the IUPAC name of [1-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol (CID 111579350) is [1-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol is OCC1(CNCc2cc3cc(F)ccc3o2)CC1.
What is the InChIKey of [1-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol?
The InChIKey is BVQNRKVQLQLYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c15-11-1-2-13-10(5-11)6-12(18-13)7-16-8-14(9-17)3-4-14/h1-2,5-6,16-17H,3-4,7-9H2.
What are the key properties of [1-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol?
[1-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol has a molecular weight of 249.28 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 111579350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).