3-[amino(1-benzofuran-2-yl)methoxy]-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine

C19H23N3O2 — CID 142001426

IUPAC3-[amino(1-benzofuran-2-yl)methoxy]-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCN(CCCOC(N)c1cc2ccccc2o1)Cc1cccnc1
InChIInChI=1S/C19H23N3O2/c1-22(14-15-6-4-9-21-13-15)10-5-11-23-19(20)18-12-16-7-2-3-8-17(16)24-18/h2-4,6-9,12-13,19H,5,10-11,14,20H2,1H3
InChIKeyHNFGOIYJEKJILR-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.32
Rot. Bonds8

About 3-[amino(1-benzofuran-2-yl)methoxy]-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine

3-[amino(1-benzofuran-2-yl)methoxy]-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine (PubChem CID 142001426) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[amino(1-benzofuran-2-yl)methoxy]-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-[amino(1-benzofuran-2-yl)methoxy]-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
PubChem CID142001426
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[amino(1-benzofuran-2-yl)methoxy]-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCN(CCCOC(N)c1cc2ccccc2o1)Cc1cccnc1
InChIInChI=1S/C19H23N3O2/c1-22(14-15-6-4-9-21-13-15)10-5-11-23-19(20)18-12-16-7-2-3-8-17(16)24-18/h2-4,6-9,12-13,19H,5,10-11,14,20H2,1H3
InChIKeyHNFGOIYJEKJILR-UHFFFAOYSA-N
XLogP3.32
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 61286516
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505
3-[3-[benzyl(methyl)amino]propoxy]chromen-2-one
CID 71508422
[3-methyl-4-[3-[methyl(pyridin-3-ylmethyl)amino]propoxy]-1-benzofuran-2-yl]methanol
CID 22615073
2-ethoxy-N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 63071613
4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide
CID 63571806
1-(2-bromophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62628732
[1-(1-benzofuran-2-yl)-3-pyridin-3-ylpropyl]hydrazine
CID 105337807
3-(1-benzofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 78832927
2-[tert-butyl(dimethyl)silyl]oxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine
CID 139923552
3-N-methyl-3-N-(pyridin-3-ylmethyl)propane-1,2,3-triamine
CID 115119904

Frequently Asked Questions

What is the IUPAC name of 3-[amino(1-benzofuran-2-yl)methoxy]-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-[amino(1-benzofuran-2-yl)methoxy]-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine (CID 142001426) is 3-[amino(1-benzofuran-2-yl)methoxy]-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-[amino(1-benzofuran-2-yl)methoxy]-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-[amino(1-benzofuran-2-yl)methoxy]-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine is CN(CCCOC(N)c1cc2ccccc2o1)Cc1cccnc1.
What is the InChIKey of 3-[amino(1-benzofuran-2-yl)methoxy]-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine?
The InChIKey is HNFGOIYJEKJILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-22(14-15-6-4-9-21-13-15)10-5-11-23-19(20)18-12-16-7-2-3-8-17(16)24-18/h2-4,6-9,12-13,19H,5,10-11,14,20H2,1H3.
What are the key properties of 3-[amino(1-benzofuran-2-yl)methoxy]-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine?
3-[amino(1-benzofuran-2-yl)methoxy]-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine has a molecular weight of 325.41 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(1-benzofuran-2-yl)methoxy]-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 142001426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).