N-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine

C16H19NO — CID 80700753

IUPACN-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine
SMILESc1ccc2c(CNC(C3CC3)C3CC3)coc2c1
InChIInChI=1S/C16H19NO/c1-2-4-15-14(3-1)13(10-18-15)9-17-16(11-5-6-11)12-7-8-12/h1-4,10-12,16-17H,5-9H2
InChIKeyDHUKSBSLRUUKTO-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.71
Rot. Bonds5

About N-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine

N-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine (PubChem CID 80700753) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine
PubChem CID80700753
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine
SMILESc1ccc2c(CNC(C3CC3)C3CC3)coc2c1
InChIInChI=1S/C16H19NO/c1-2-4-15-14(3-1)13(10-18-15)9-17-16(11-5-6-11)12-7-8-12/h1-4,10-12,16-17H,5-9H2
InChIKeyDHUKSBSLRUUKTO-UHFFFAOYSA-N
XLogP3.71
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine
CID 79690307
N-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine
CID 80700525
N-(1-benzofuran-3-ylmethyl)but-3-yn-2-amine
CID 114414908
2-(1-benzofuran-3-ylmethylamino)propanenitrile
CID 115130217
N-(1-benzofuran-3-ylmethyl)but-3-en-2-amine
CID 115750474
N-(1-benzofuran-3-ylmethyl)-1-(2-bicyclo[2.2.1]heptanyl)ethanamine
CID 80701361
N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine
CID 115750478
N-(1-benzofuran-3-ylmethyl)-2-cyclopropylpropan-2-amine
CID 103826314
N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine
CID 80700500
N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80701226
2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 80701303
4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine
CID 80700876

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine (CID 80700753) is N-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine is c1ccc2c(CNC(C3CC3)C3CC3)coc2c1.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine?
The InChIKey is DHUKSBSLRUUKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-4-15-14(3-1)13(10-18-15)9-17-16(11-5-6-11)12-7-8-12/h1-4,10-12,16-17H,5-9H2.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine?
N-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine has a molecular weight of 241.33 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine is sourced from PubChem (CID 80700753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).