N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine

C18H27NO2 — CID 43392217

IUPACN-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine
SMILESCCCCc1oc2ccccc2c1CNCCCOCC
InChIInChI=1S/C18H27NO2/c1-3-5-10-18-16(14-19-12-8-13-20-4-2)15-9-6-7-11-17(15)21-18/h6-7,9,11,19H,3-5,8,10,12-14H2,1-2H3
InChIKeyQSHZAAAXBIOPBG-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.29
Rot. Bonds10

About N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine

N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine (PubChem CID 43392217) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine
PubChem CID43392217
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine
SMILESCCCCc1oc2ccccc2c1CNCCCOCC
InChIInChI=1S/C18H27NO2/c1-3-5-10-18-16(14-19-12-8-13-20-4-2)15-9-6-7-11-17(15)21-18/h6-7,9,11,19H,3-5,8,10,12-14H2,1-2H3
InChIKeyQSHZAAAXBIOPBG-UHFFFAOYSA-N
XLogP4.29
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.29
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]-N',N'-dimethylpropane-1,3-diamine
CID 43392179
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 63982938
N-[[2-(butoxymethyl)-1-benzofuran-3-yl]methyl]propan-1-amine
CID 62449528
3-butoxy-N-[(2-methyl-1-benzofuran-3-yl)methyl]propan-1-amine
CID 115774516
N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
CID 43226064
methyl 2-[(2-butyl-1-benzofuran-3-yl)methylamino]acetate
CID 43494618
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine
CID 106328362
3-[(2-butyl-1-benzofuran-3-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731518
N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 63001648
N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295422
N-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine
CID 43392136
(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine?
The IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine (CID 43392217) is N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine.
What is the SMILES notation for N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine?
The canonical SMILES for N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine is CCCCc1oc2ccccc2c1CNCCCOCC.
What is the InChIKey of N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine?
The InChIKey is QSHZAAAXBIOPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-5-10-18-16(14-19-12-8-13-20-4-2)15-9-6-7-11-17(15)21-18/h6-7,9,11,19H,3-5,8,10,12-14H2,1-2H3.
What are the key properties of N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine?
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine is sourced from PubChem (CID 43392217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).