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

C18H28N2O — CID 62421228

IUPACN-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1-benzofuran-2-yl]methyl]propan-1-amine
SMILESCCCN(CC)Cc1oc2ccccc2c1CNC(C)C
InChIInChI=1S/C18H28N2O/c1-5-11-20(6-2)13-18-16(12-19-14(3)4)15-9-7-8-10-17(15)21-18/h7-10,14,19H,5-6,11-13H2,1-4H3
InChIKeyJUYUQXKZHQGWQU-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.16
Rot. Bonds8

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

N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1-benzofuran-2-yl]methyl]propan-1-amine (PubChem CID 62421228) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1-benzofuran-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1-benzofuran-2-yl]methyl]propan-1-amine
PubChem CID62421228
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1-benzofuran-2-yl]methyl]propan-1-amine
SMILESCCCN(CC)Cc1oc2ccccc2c1CNC(C)C
InChIInChI=1S/C18H28N2O/c1-5-11-20(6-2)13-18-16(12-19-14(3)4)15-9-7-8-10-17(15)21-18/h7-10,14,19H,5-6,11-13H2,1-4H3
InChIKeyJUYUQXKZHQGWQU-UHFFFAOYSA-N
XLogP4.16
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62423547
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylpropan-1-amine
CID 62420279
N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]propan-1-amine
CID 62430238
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-propylpropan-1-amine
CID 62438385
N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine
CID 62438010
N-[[2-[2-(dimethylamino)ethoxymethyl]-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62458588
N-ethyl-N-[[2-[(propan-2-ylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62422951
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 43226118
N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62443711
N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propan-2-ylpropan-1-amine
CID 62421073
N-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine
CID 43392136
N-[[3-(pentan-2-yloxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 102986880

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1-benzofuran-2-yl]methyl]propan-1-amine?
The IUPAC name of N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1-benzofuran-2-yl]methyl]propan-1-amine (CID 62421228) is N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1-benzofuran-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1-benzofuran-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1-benzofuran-2-yl]methyl]propan-1-amine is CCCN(CC)Cc1oc2ccccc2c1CNC(C)C.
What is the InChIKey of N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1-benzofuran-2-yl]methyl]propan-1-amine?
The InChIKey is JUYUQXKZHQGWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-11-20(6-2)13-18-16(12-19-14(3)4)15-9-7-8-10-17(15)21-18/h7-10,14,19H,5-6,11-13H2,1-4H3.
What are the key properties of N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1-benzofuran-2-yl]methyl]propan-1-amine?
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1-benzofuran-2-yl]methyl]propan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1-benzofuran-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62421228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).