[4-(3-amino-4-pyridin-3-ylbutoxy)-3-methyl-1-benzofuran-2-yl]methanol

C19H22N2O3 — CID 70219903

IUPAC[4-(3-amino-4-pyridin-3-ylbutoxy)-3-methyl-1-benzofuran-2-yl]methanol
SMILESCc1c(CO)oc2cccc(OCCC(N)Cc3cccnc3)c12
InChIInChI=1S/C19H22N2O3/c1-13-18(12-22)24-17-6-2-5-16(19(13)17)23-9-7-15(20)10-14-4-3-8-21-11-14/h2-6,8,11,15,22H,7,9-10,12,20H2,1H3
InChIKeyUIHUTRZXYPRNMZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.97
Rot. Bonds7

About [4-(3-amino-4-pyridin-3-ylbutoxy)-3-methyl-1-benzofuran-2-yl]methanol

[4-(3-amino-4-pyridin-3-ylbutoxy)-3-methyl-1-benzofuran-2-yl]methanol (PubChem CID 70219903) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [4-(3-amino-4-pyridin-3-ylbutoxy)-3-methyl-1-benzofuran-2-yl]methanol.

Molecular Properties

Compound Name[4-(3-amino-4-pyridin-3-ylbutoxy)-3-methyl-1-benzofuran-2-yl]methanol
PubChem CID70219903
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[4-(3-amino-4-pyridin-3-ylbutoxy)-3-methyl-1-benzofuran-2-yl]methanol
SMILESCc1c(CO)oc2cccc(OCCC(N)Cc3cccnc3)c12
InChIInChI=1S/C19H22N2O3/c1-13-18(12-22)24-17-6-2-5-16(19(13)17)23-9-7-15(20)10-14-4-3-8-21-11-14/h2-6,8,11,15,22H,7,9-10,12,20H2,1H3
InChIKeyUIHUTRZXYPRNMZ-UHFFFAOYSA-N
XLogP2.97
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-methyl-4-[3-[methyl(pyridin-3-ylmethyl)amino]propoxy]-1-benzofuran-2-yl]methanol
CID 22615073
[3-methyl-4-(1-piperidin-3-yl-2-pyridin-3-ylethoxy)-1-benzofuran-2-yl]methanol
CID 22614970
4-ethoxy-1-pyridin-3-ylbutan-2-amine
CID 112688280
4-[[2-[3-[(3-fluorophenyl)methoxy]propyl]-3-methyl-1-benzofuran-4-yl]oxy]-1-pyridin-3-ylbutan-1-amine
CID 68655433
4-[[3-methyl-2-[(2,3,5-trifluorophenoxy)methyl]-1-benzofuran-4-yl]oxy]-1-pyridin-3-ylbutan-1-amine
CID 68655535
3-[[3-methyl-2-(2-phenylethylsulfanylmethyl)-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine
CID 22615022
3-[[3-methyl-2-(2,2,2-trifluoroethoxymethyl)-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine
CID 22614962
ethyl 3-methyl-4-[3-(2-pyridin-3-ylethylamino)propoxy]-1-benzofuran-2-carboxylate
CID 510561
3-[[3-methyl-2-[(2,4,6-trifluorophenoxy)methyl]-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine
CID 22614968
3-[[2-[3-(3-fluorophenoxy)propyl]-3-methyl-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine
CID 22615001
(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine
CID 94470637
2-[5-[[3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-yl]methoxy]-1-benzofuran-2-yl]propan-2-ol
CID 22615075

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-4-pyridin-3-ylbutoxy)-3-methyl-1-benzofuran-2-yl]methanol?
The IUPAC name of [4-(3-amino-4-pyridin-3-ylbutoxy)-3-methyl-1-benzofuran-2-yl]methanol (CID 70219903) is [4-(3-amino-4-pyridin-3-ylbutoxy)-3-methyl-1-benzofuran-2-yl]methanol.
What is the SMILES notation for [4-(3-amino-4-pyridin-3-ylbutoxy)-3-methyl-1-benzofuran-2-yl]methanol?
The canonical SMILES for [4-(3-amino-4-pyridin-3-ylbutoxy)-3-methyl-1-benzofuran-2-yl]methanol is Cc1c(CO)oc2cccc(OCCC(N)Cc3cccnc3)c12.
What is the InChIKey of [4-(3-amino-4-pyridin-3-ylbutoxy)-3-methyl-1-benzofuran-2-yl]methanol?
The InChIKey is UIHUTRZXYPRNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-18(12-22)24-17-6-2-5-16(19(13)17)23-9-7-15(20)10-14-4-3-8-21-11-14/h2-6,8,11,15,22H,7,9-10,12,20H2,1H3.
What are the key properties of [4-(3-amino-4-pyridin-3-ylbutoxy)-3-methyl-1-benzofuran-2-yl]methanol?
[4-(3-amino-4-pyridin-3-ylbutoxy)-3-methyl-1-benzofuran-2-yl]methanol has a molecular weight of 326.40 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-4-pyridin-3-ylbutoxy)-3-methyl-1-benzofuran-2-yl]methanol is sourced from PubChem (CID 70219903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).