N-[(5-butyl-3-tert-butyl-1-benzofuran-2-yl)methyl]ethanamine

C19H29NO — CID 114377629

IUPACN-[(5-butyl-3-tert-butyl-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCCCc1ccc2oc(CNCC)c(C(C)(C)C)c2c1
InChIInChI=1S/C19H29NO/c1-6-8-9-14-10-11-16-15(12-14)18(19(3,4)5)17(21-16)13-20-7-2/h10-12,20H,6-9,13H2,1-5H3
InChIKeyAPNWCGHOEATVHY-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.18
Rot. Bonds6

About N-[(5-butyl-3-tert-butyl-1-benzofuran-2-yl)methyl]ethanamine

N-[(5-butyl-3-tert-butyl-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 114377629) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(5-butyl-3-tert-butyl-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-butyl-3-tert-butyl-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID114377629
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[(5-butyl-3-tert-butyl-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCCCc1ccc2oc(CNCC)c(C(C)(C)C)c2c1
InChIInChI=1S/C19H29NO/c1-6-8-9-14-10-11-16-15(12-14)18(19(3,4)5)17(21-16)13-20-7-2/h10-12,20H,6-9,13H2,1-5H3
InChIKeyAPNWCGHOEATVHY-UHFFFAOYSA-N
XLogP5.18
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-butyl-3-ethyl-1-benzofuran-2-yl)methanamine
CID 115493278
N-[(3-tert-butyl-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114375396
N-[(3-tert-butyl-7-chloro-5-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114377235
5-butyl-3-ethyl-1-benzofuran-2-carbonitrile
CID 115493274
N-[(3-cyclopropyl-5-propyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114377188
N-[[5-(2-methylbutan-2-yl)-3-propan-2-yl-1-benzofuran-2-yl]methyl]ethanamine
CID 114375945
N-[(3-tert-butyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 114376824
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine
CID 106328362
3-tert-butyl-5-ethyl-1-benzofuran-2-carbonitrile
CID 63488699
9-butylbenzo[c]chromen-6-one
CID 102375140
2-dodecylxanthene-9-thione
CID 57217776
(5-bromo-3-tert-butyl-1-benzofuran-2-yl)methanamine
CID 62379957

Frequently Asked Questions

What is the IUPAC name of N-[(5-butyl-3-tert-butyl-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-butyl-3-tert-butyl-1-benzofuran-2-yl)methyl]ethanamine (CID 114377629) is N-[(5-butyl-3-tert-butyl-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-butyl-3-tert-butyl-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-butyl-3-tert-butyl-1-benzofuran-2-yl)methyl]ethanamine is CCCCc1ccc2oc(CNCC)c(C(C)(C)C)c2c1.
What is the InChIKey of N-[(5-butyl-3-tert-butyl-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is APNWCGHOEATVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-6-8-9-14-10-11-16-15(12-14)18(19(3,4)5)17(21-16)13-20-7-2/h10-12,20H,6-9,13H2,1-5H3.
What are the key properties of N-[(5-butyl-3-tert-butyl-1-benzofuran-2-yl)methyl]ethanamine?
N-[(5-butyl-3-tert-butyl-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 287.45 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-butyl-3-tert-butyl-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 114377629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).