N'-dibenzofuran-2-yl-2-propan-2-ylpropane-1,3-diamine

C18H22N2O — CID 107441212

IUPACN'-dibenzofuran-2-yl-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H22N2O/c1-12(2)13(10-19)11-20-14-7-8-18-16(9-14)15-5-3-4-6-17(15)21-18/h3-9,12-13,20H,10-11,19H2,1-2H3
InChIKeyAGMSBWYELRQITE-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.23
Rot. Bonds5

About N'-dibenzofuran-2-yl-2-propan-2-ylpropane-1,3-diamine

N'-dibenzofuran-2-yl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107441212) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N'-dibenzofuran-2-yl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-dibenzofuran-2-yl-2-propan-2-ylpropane-1,3-diamine
PubChem CID107441212
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN'-dibenzofuran-2-yl-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H22N2O/c1-12(2)13(10-19)11-20-14-7-8-18-16(9-14)15-5-3-4-6-17(15)21-18/h3-9,12-13,20H,10-11,19H2,1-2H3
InChIKeyAGMSBWYELRQITE-UHFFFAOYSA-N
XLogP4.23
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Dibenzofuranamine
CID 19405
2-(3-Methyl-4-Oxo-3,4-Dihydrophthalazin-1-Yl)-N-(6,7,8,9-Tetrahydrodibenzo[b,D]furan-2-Yl)acetamide
CID 71552341
4-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylamino}-benzonitrile
CID 11573764
3-({2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-amino)-benzonitrile
CID 11631843
3-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylamino}-benzonitrile
CID 11681731
4-(5-(125I)iodo-1-benzofuran-2-yl)-N-methyl(125I)aniline
CID 71451875
4-(6-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline
CID 71457198
4-(5-(125I)iodo-1-benzofuran-2-yl)-N,N-dimethyl(125I)aniline
CID 71462568
N-[4-(1-benzofuran-2-yl)phenyl]acetamide
CID 660707
1-(4-(5-(Piperidin-1-yl)benzofuran-2-yl)benzyl)azetidine-3-carboxylic acid
CID 16737345
methyl N-[3-(2-benzamidoethyl)-1-benzofuran-5-yl]carbamate
CID 17956992
Methyl 3-(2-isobutyramidoethyl)benzofuran-5-ylcarbamate
CID 17957007

Frequently Asked Questions

What is the IUPAC name of N'-dibenzofuran-2-yl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-dibenzofuran-2-yl-2-propan-2-ylpropane-1,3-diamine (CID 107441212) is N'-dibenzofuran-2-yl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-dibenzofuran-2-yl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-dibenzofuran-2-yl-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CNc1ccc2oc3ccccc3c2c1.
What is the InChIKey of N'-dibenzofuran-2-yl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is AGMSBWYELRQITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12(2)13(10-19)11-20-14-7-8-18-16(9-14)15-5-3-4-6-17(15)21-18/h3-9,12-13,20H,10-11,19H2,1-2H3.
What are the key properties of N'-dibenzofuran-2-yl-2-propan-2-ylpropane-1,3-diamine?
N'-dibenzofuran-2-yl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 282.39 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-dibenzofuran-2-yl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107441212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).