N-(2-methoxyethyl)-3-(7-methyl-1-benzofuran-2-yl)butan-2-amine

C16H23NO2 — CID 114732970

IUPACN-(2-methoxyethyl)-3-(7-methyl-1-benzofuran-2-yl)butan-2-amine
SMILESCOCCNC(C)C(C)c1cc2cccc(C)c2o1
InChIInChI=1S/C16H23NO2/c1-11-6-5-7-14-10-15(19-16(11)14)12(2)13(3)17-8-9-18-4/h5-7,10,12-13,17H,8-9H2,1-4H3
InChIKeyYSTPOIZTWLGOJR-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.47
Rot. Bonds6

About N-(2-methoxyethyl)-3-(7-methyl-1-benzofuran-2-yl)butan-2-amine

N-(2-methoxyethyl)-3-(7-methyl-1-benzofuran-2-yl)butan-2-amine (PubChem CID 114732970) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(7-methyl-1-benzofuran-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(7-methyl-1-benzofuran-2-yl)butan-2-amine
PubChem CID114732970
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-(2-methoxyethyl)-3-(7-methyl-1-benzofuran-2-yl)butan-2-amine
SMILESCOCCNC(C)C(C)c1cc2cccc(C)c2o1
InChIInChI=1S/C16H23NO2/c1-11-6-5-7-14-10-15(19-16(11)14)12(2)13(3)17-8-9-18-4/h5-7,10,12-13,17H,8-9H2,1-4H3
InChIKeyYSTPOIZTWLGOJR-UHFFFAOYSA-N
XLogP3.47
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 114728058
3-(5-fluoro-1-benzofuran-2-yl)-N-(2-methoxyethyl)butan-2-amine
CID 114732971
2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 114731309
N-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-1-amine
CID 105045521
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
2-(methoxymethyl)-7-methyl-1-benzofuran
CID 117186379
3-(2,3-difluoro-4-methylphenyl)-N-(2-methoxyethyl)butan-2-amine
CID 107514261
3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol
CID 103027711
N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65441133
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanamine
CID 114728964
2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 105045508
N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine
CID 114729711

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(7-methyl-1-benzofuran-2-yl)butan-2-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(7-methyl-1-benzofuran-2-yl)butan-2-amine (CID 114732970) is N-(2-methoxyethyl)-3-(7-methyl-1-benzofuran-2-yl)butan-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(7-methyl-1-benzofuran-2-yl)butan-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(7-methyl-1-benzofuran-2-yl)butan-2-amine is COCCNC(C)C(C)c1cc2cccc(C)c2o1.
What is the InChIKey of N-(2-methoxyethyl)-3-(7-methyl-1-benzofuran-2-yl)butan-2-amine?
The InChIKey is YSTPOIZTWLGOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-6-5-7-14-10-15(19-16(11)14)12(2)13(3)17-8-9-18-4/h5-7,10,12-13,17H,8-9H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-3-(7-methyl-1-benzofuran-2-yl)butan-2-amine?
N-(2-methoxyethyl)-3-(7-methyl-1-benzofuran-2-yl)butan-2-amine has a molecular weight of 261.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(7-methyl-1-benzofuran-2-yl)butan-2-amine is sourced from PubChem (CID 114732970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).