1-[(7-methoxy-1-benzofuran-2-yl)methylamino]pentan-2-ol

C15H21NO3 — CID 115623289

IUPAC1-[(7-methoxy-1-benzofuran-2-yl)methylamino]pentan-2-ol
SMILESCCCC(O)CNCc1cc2cccc(OC)c2o1
InChIInChI=1S/C15H21NO3/c1-3-5-12(17)9-16-10-13-8-11-6-4-7-14(18-2)15(11)19-13/h4,6-8,12,16-17H,3,5,9-10H2,1-2H3
InChIKeyPSDMFEHZWCNEIX-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.69
Rot. Bonds7

About 1-[(7-methoxy-1-benzofuran-2-yl)methylamino]pentan-2-ol

1-[(7-methoxy-1-benzofuran-2-yl)methylamino]pentan-2-ol (PubChem CID 115623289) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[(7-methoxy-1-benzofuran-2-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name1-[(7-methoxy-1-benzofuran-2-yl)methylamino]pentan-2-ol
PubChem CID115623289
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[(7-methoxy-1-benzofuran-2-yl)methylamino]pentan-2-ol
SMILESCCCC(O)CNCc1cc2cccc(OC)c2o1
InChIInChI=1S/C15H21NO3/c1-3-5-12(17)9-16-10-13-8-11-6-4-7-14(18-2)15(11)19-13/h4,6-8,12,16-17H,3,5,9-10H2,1-2H3
InChIKeyPSDMFEHZWCNEIX-UHFFFAOYSA-N
XLogP2.69
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(7-methoxy-1-benzofuran-2-yl)methylamino]pentan-2-ol with MolForge

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Related Compounds

1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol
CID 115630665
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63967269
methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate
CID 43756848
1-cyclopentyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]methanamine
CID 43432532
N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 19886076
2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 61169329
N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 82707164
(2R)-2-[(7-methoxy-1-benzofuran-2-yl)methylamino]butan-1-ol
CID 113352580
N-[2-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 70555736
3-ethyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]pentan-2-amine
CID 63843448
N-[(7-ethoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 65440347
4-[(7-methoxy-1-benzofuran-2-yl)methylamino]butanoic acid
CID 60782962

Frequently Asked Questions

What is the IUPAC name of 1-[(7-methoxy-1-benzofuran-2-yl)methylamino]pentan-2-ol?
The IUPAC name of 1-[(7-methoxy-1-benzofuran-2-yl)methylamino]pentan-2-ol (CID 115623289) is 1-[(7-methoxy-1-benzofuran-2-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 1-[(7-methoxy-1-benzofuran-2-yl)methylamino]pentan-2-ol?
The canonical SMILES for 1-[(7-methoxy-1-benzofuran-2-yl)methylamino]pentan-2-ol is CCCC(O)CNCc1cc2cccc(OC)c2o1.
What is the InChIKey of 1-[(7-methoxy-1-benzofuran-2-yl)methylamino]pentan-2-ol?
The InChIKey is PSDMFEHZWCNEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-5-12(17)9-16-10-13-8-11-6-4-7-14(18-2)15(11)19-13/h4,6-8,12,16-17H,3,5,9-10H2,1-2H3.
What are the key properties of 1-[(7-methoxy-1-benzofuran-2-yl)methylamino]pentan-2-ol?
1-[(7-methoxy-1-benzofuran-2-yl)methylamino]pentan-2-ol has a molecular weight of 263.34 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-methoxy-1-benzofuran-2-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 115623289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).