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'}

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

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Related Compounds

N-[(7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114377094
N-[(3-propan-2-yl-7-propoxy-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114376818
7-methoxy-5-methyl-2-(2-methylpropyl)-1-benzofuran-3-amine
CID 82372675
1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 81035438
N-[(7-chloro-3,5-dimethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 81047415
N-[(6-chloro-7-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114377730
N-[(7-bromo-3,5-dimethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 81050088
N-[(4-fluoro-7-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 102990738
N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine
CID 114375084
N-[[7-methoxy-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114375003
N-[(4,7-dibromo-3-ethyl-5-methoxy-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104843203
N-[(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 107669960

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).