N-[(4,6-dimethoxy-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine

C17H25NO3 — CID 114374927

IUPACN-[(4,6-dimethoxy-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCCCc1c(CNC(C)C)oc2cc(OC)cc(OC)c12
InChIInChI=1S/C17H25NO3/c1-6-7-13-16(10-18-11(2)3)21-15-9-12(19-4)8-14(20-5)17(13)15/h8-9,11,18H,6-7,10H2,1-5H3
InChIKeyCUEWZNJKOAEFAD-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.90
Rot. Bonds7

About N-[(4,6-dimethoxy-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine

N-[(4,6-dimethoxy-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine (PubChem CID 114374927) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(4,6-dimethoxy-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4,6-dimethoxy-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
PubChem CID114374927
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[(4,6-dimethoxy-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
SMILESCCCc1c(CNC(C)C)oc2cc(OC)cc(OC)c12
InChIInChI=1S/C17H25NO3/c1-6-7-13-16(10-18-11(2)3)21-15-9-12(19-4)8-14(20-5)17(13)15/h8-9,11,18H,6-7,10H2,1-5H3
InChIKeyCUEWZNJKOAEFAD-UHFFFAOYSA-N
XLogP3.90
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-bromo-4,6-dimethoxyphenyl)methyl]propan-2-amine
CID 115735467
N-[(5-bromo-4,7-dichloro-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 107662972
N-ethyl-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine
CID 43490262
3,5-dimethoxy-2-propylaniline
CID 141261453
3-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentan-2-amine
CID 61463232
N-[(4,6-difluoro-3-methyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81048867
N-[[5-ethoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376303
N-[[5-chloro-4,6-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376998
N-[(2,6-dimethoxy-4-methylphenyl)methyl]propan-2-amine
CID 145435829
ethyl 2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 61498510
N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 61267266
2-[4-[(2R)-2-hydroxypentoxy]-3,5-dimethylphenyl]-5,7-dimethoxychromen-4-one
CID 159111191

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxy-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4,6-dimethoxy-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine (CID 114374927) is N-[(4,6-dimethoxy-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4,6-dimethoxy-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4,6-dimethoxy-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine is CCCc1c(CNC(C)C)oc2cc(OC)cc(OC)c12.
What is the InChIKey of N-[(4,6-dimethoxy-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine?
The InChIKey is CUEWZNJKOAEFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-6-7-13-16(10-18-11(2)3)21-15-9-12(19-4)8-14(20-5)17(13)15/h8-9,11,18H,6-7,10H2,1-5H3.
What are the key properties of N-[(4,6-dimethoxy-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine?
N-[(4,6-dimethoxy-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine has a molecular weight of 291.39 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxy-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 114374927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).