N-[(7-methoxy-5-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine

C17H25NO2 — CID 114375018

IUPACN-[(7-methoxy-5-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNCc1oc2c(OC)cc(C)cc2c1C(C)C
InChIInChI=1S/C17H25NO2/c1-6-7-18-10-15-16(11(2)3)13-8-12(4)9-14(19-5)17(13)20-15/h8-9,11,18H,6-7,10H2,1-5H3
InChIKeyYTRBRKJIUROYDN-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.37
Rot. Bonds6

About N-[(7-methoxy-5-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine

N-[(7-methoxy-5-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine (PubChem CID 114375018) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[(7-methoxy-5-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(7-methoxy-5-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
PubChem CID114375018
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[(7-methoxy-5-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNCc1oc2c(OC)cc(C)cc2c1C(C)C
InChIInChI=1S/C17H25NO2/c1-6-7-18-10-15-16(11(2)3)13-8-12(4)9-14(19-5)17(13)20-15/h8-9,11,18H,6-7,10H2,1-5H3
InChIKeyYTRBRKJIUROYDN-UHFFFAOYSA-N
XLogP4.37
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.37
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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Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-5-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(7-methoxy-5-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine (CID 114375018) is N-[(7-methoxy-5-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(7-methoxy-5-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(7-methoxy-5-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine is CCCNCc1oc2c(OC)cc(C)cc2c1C(C)C.
What is the InChIKey of N-[(7-methoxy-5-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine?
The InChIKey is YTRBRKJIUROYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-6-7-18-10-15-16(11(2)3)13-8-12(4)9-14(19-5)17(13)20-15/h8-9,11,18H,6-7,10H2,1-5H3.
What are the key properties of N-[(7-methoxy-5-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine?
N-[(7-methoxy-5-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-5-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114375018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).