1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol

C15H21NO3 — CID 115630665

IUPAC1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol
SMILESCOc1cccc2cc(CNCC(O)C(C)C)oc12
InChIInChI=1S/C15H21NO3/c1-10(2)13(17)9-16-8-12-7-11-5-4-6-14(18-3)15(11)19-12/h4-7,10,13,16-17H,8-9H2,1-3H3
InChIKeyKZKQNEYYXBKYDC-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.55
Rot. Bonds6

About 1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol

1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol (PubChem CID 115630665) 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]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol
PubChem CID115630665
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol
SMILESCOc1cccc2cc(CNCC(O)C(C)C)oc12
InChIInChI=1S/C15H21NO3/c1-10(2)13(17)9-16-8-12-7-11-5-4-6-14(18-3)15(11)19-12/h4-7,10,13,16-17H,8-9H2,1-3H3
InChIKeyKZKQNEYYXBKYDC-UHFFFAOYSA-N
XLogP2.55
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol with MolForge

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Related Compounds

1-[(7-methoxy-1-benzofuran-2-yl)methylamino]pentan-2-ol
CID 115623289
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
methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutanoate
CID 60781620
N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 82707164
3-ethyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]pentan-2-amine
CID 63843448
3-[(7-methoxy-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide
CID 60925397
4-[(7-methoxy-1-benzofuran-2-yl)methylamino]butanoic acid
CID 60782962
4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]butan-2-amine
CID 62732794
(2R)-2-[(7-methoxy-1-benzofuran-2-yl)methylamino]butan-1-ol
CID 113352580

Frequently Asked Questions

What is the IUPAC name of 1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol?
The IUPAC name of 1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol (CID 115630665) is 1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol is COc1cccc2cc(CNCC(O)C(C)C)oc12.
What is the InChIKey of 1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol?
The InChIKey is KZKQNEYYXBKYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(2)13(17)9-16-8-12-7-11-5-4-6-14(18-3)15(11)19-12/h4-7,10,13,16-17H,8-9H2,1-3H3.
What are the key properties of 1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol?
1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol has a molecular weight of 263.34 g/mol, XLogP of 2.55, 6 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]-3-methylbutan-2-ol is sourced from PubChem (CID 115630665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).