3-butoxy-N-[(2-methyl-1-benzofuran-3-yl)methyl]propan-1-amine

C17H25NO2 — CID 115774516

IUPAC3-butoxy-N-[(2-methyl-1-benzofuran-3-yl)methyl]propan-1-amine
SMILESCCCCOCCCNCc1c(C)oc2ccccc12
InChIInChI=1S/C17H25NO2/c1-3-4-11-19-12-7-10-18-13-16-14(2)20-17-9-6-5-8-15(16)17/h5-6,8-9,18H,3-4,7,10-13H2,1-2H3
InChIKeyJVYWWSLNLAEIDK-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.04
Rot. Bonds9

About 3-butoxy-N-[(2-methyl-1-benzofuran-3-yl)methyl]propan-1-amine

3-butoxy-N-[(2-methyl-1-benzofuran-3-yl)methyl]propan-1-amine (PubChem CID 115774516) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-butoxy-N-[(2-methyl-1-benzofuran-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-butoxy-N-[(2-methyl-1-benzofuran-3-yl)methyl]propan-1-amine
PubChem CID115774516
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-butoxy-N-[(2-methyl-1-benzofuran-3-yl)methyl]propan-1-amine
SMILESCCCCOCCCNCc1c(C)oc2ccccc12
InChIInChI=1S/C17H25NO2/c1-3-4-11-19-12-7-10-18-13-16-14(2)20-17-9-6-5-8-15(16)17/h5-6,8-9,18H,3-4,7,10-13H2,1-2H3
InChIKeyJVYWWSLNLAEIDK-UHFFFAOYSA-N
XLogP4.04
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.04
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

N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine
CID 43392217
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62449528
6-[(2-methyl-1-benzofuran-3-yl)methylamino]hexan-1-ol
CID 103924069
N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
CID 43226064
N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine
CID 82705149
3-butoxy-N-[(2-propoxynaphthalen-1-yl)methyl]propan-1-amine
CID 29225674
[3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62456387
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115774534
3-butoxy-N-[(1,3-dimethylindol-2-yl)methyl]propan-1-amine
CID 107236210
[4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol
CID 107230098
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine
CID 103859199
N-(1-benzothiophen-3-ylmethyl)-3-butoxypropan-1-amine
CID 115575834

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[(2-methyl-1-benzofuran-3-yl)methyl]propan-1-amine?
The IUPAC name of 3-butoxy-N-[(2-methyl-1-benzofuran-3-yl)methyl]propan-1-amine (CID 115774516) is 3-butoxy-N-[(2-methyl-1-benzofuran-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-butoxy-N-[(2-methyl-1-benzofuran-3-yl)methyl]propan-1-amine?
The canonical SMILES for 3-butoxy-N-[(2-methyl-1-benzofuran-3-yl)methyl]propan-1-amine is CCCCOCCCNCc1c(C)oc2ccccc12.
What is the InChIKey of 3-butoxy-N-[(2-methyl-1-benzofuran-3-yl)methyl]propan-1-amine?
The InChIKey is JVYWWSLNLAEIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-4-11-19-12-7-10-18-13-16-14(2)20-17-9-6-5-8-15(16)17/h5-6,8-9,18H,3-4,7,10-13H2,1-2H3.
What are the key properties of 3-butoxy-N-[(2-methyl-1-benzofuran-3-yl)methyl]propan-1-amine?
3-butoxy-N-[(2-methyl-1-benzofuran-3-yl)methyl]propan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[(2-methyl-1-benzofuran-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 115774516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).