(5-butyl-3-ethyl-1-benzofuran-2-yl)methanamine

C15H21NO — CID 115493278

IUPAC(5-butyl-3-ethyl-1-benzofuran-2-yl)methanamine
SMILESCCCCc1ccc2oc(CN)c(CC)c2c1
InChIInChI=1S/C15H21NO/c1-3-5-6-11-7-8-14-13(9-11)12(4-2)15(10-16)17-14/h7-9H,3-6,10,16H2,1-2H3
InChIKeyOQXZWJFNQYYHKS-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.80
Rot. Bonds5

About (5-butyl-3-ethyl-1-benzofuran-2-yl)methanamine

(5-butyl-3-ethyl-1-benzofuran-2-yl)methanamine (PubChem CID 115493278) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (5-butyl-3-ethyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-butyl-3-ethyl-1-benzofuran-2-yl)methanamine
PubChem CID115493278
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(5-butyl-3-ethyl-1-benzofuran-2-yl)methanamine
SMILESCCCCc1ccc2oc(CN)c(CC)c2c1
InChIInChI=1S/C15H21NO/c1-3-5-6-11-7-8-14-13(9-11)12(4-2)15(10-16)17-14/h7-9H,3-6,10,16H2,1-2H3
InChIKeyOQXZWJFNQYYHKS-UHFFFAOYSA-N
XLogP3.80
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-ethyl-3-propyl-1-benzofuran-2-yl)methanamine
CID 62381054
[3-(methoxymethyl)-5-propyl-1-benzofuran-2-yl]methanamine
CID 114377191
5-butyl-3-ethyl-1-benzofuran-2-carbonitrile
CID 115493274
(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779
N-[(5-butyl-3-tert-butyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114377629
[3-(octoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62457211
2-dodecylxanthene-9-thione
CID 57217776
(5-phenoxy-3-propyl-1-benzofuran-2-yl)methanamine
CID 114375977
2-ethyl-3-pentyl-1-benzofuran
CID 70503240
7-octyl-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
CID 118285728
9-butylbenzo[c]chromen-6-one
CID 102375140
5-dibenzofuran-2-ylpentan-1-amine
CID 65300721

Frequently Asked Questions

What is the IUPAC name of (5-butyl-3-ethyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-butyl-3-ethyl-1-benzofuran-2-yl)methanamine (CID 115493278) is (5-butyl-3-ethyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-butyl-3-ethyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-butyl-3-ethyl-1-benzofuran-2-yl)methanamine is CCCCc1ccc2oc(CN)c(CC)c2c1.
What is the InChIKey of (5-butyl-3-ethyl-1-benzofuran-2-yl)methanamine?
The InChIKey is OQXZWJFNQYYHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-5-6-11-7-8-14-13(9-11)12(4-2)15(10-16)17-14/h7-9H,3-6,10,16H2,1-2H3.
What are the key properties of (5-butyl-3-ethyl-1-benzofuran-2-yl)methanamine?
(5-butyl-3-ethyl-1-benzofuran-2-yl)methanamine has a molecular weight of 231.34 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butyl-3-ethyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 115493278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).