N'-cyclopropyl-N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine

C15H22N2O — CID 79226019

IUPACN'-cyclopropyl-N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
SMILESNCCCN(CC1COc2ccccc21)C1CC1
InChIInChI=1S/C15H22N2O/c16-8-3-9-17(13-6-7-13)10-12-11-18-15-5-2-1-4-14(12)15/h1-2,4-5,12-13H,3,6-11,16H2
InChIKeyOLEZCBVLQOCLJB-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.98
Rot. Bonds6

About N'-cyclopropyl-N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine

N'-cyclopropyl-N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine (PubChem CID 79226019) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
PubChem CID79226019
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN'-cyclopropyl-N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
SMILESNCCCN(CC1COc2ccccc21)C1CC1
InChIInChI=1S/C15H22N2O/c16-8-3-9-17(13-6-7-13)10-12-11-18-15-5-2-1-4-14(12)15/h1-2,4-5,12-13H,3,6-11,16H2
InChIKeyOLEZCBVLQOCLJB-UHFFFAOYSA-N
XLogP1.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-propylpiperidin-4-amine
CID 79230131
N'-cyclohexyl-N'-(3,4-dihydro-2H-chromen-4-ylmethyl)ethane-1,2-diamine
CID 104771493
N-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopropanamine
CID 104771418
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226752
3-[cyclopropyl(3,4-dihydro-2H-chromen-4-ylmethyl)amino]propanimidamide
CID 104768597
N'-cyclobutyl-N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,3-diamine
CID 102875058
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
2-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-4-yl]ethanamine
CID 79229389
N-[4-(2,3-dihydro-1-benzofuran-3-yl)butyl]cyclopropanamine
CID 79229614
1-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-N-methylpropane-1,2-diamine
CID 79230396

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine (CID 79226019) is N'-cyclopropyl-N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine is NCCCN(CC1COc2ccccc21)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine?
The InChIKey is OLEZCBVLQOCLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-8-3-9-17(13-6-7-13)10-12-11-18-15-5-2-1-4-14(12)15/h1-2,4-5,12-13H,3,6-11,16H2.
What are the key properties of N'-cyclopropyl-N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine?
N'-cyclopropyl-N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine has a molecular weight of 246.35 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 79226019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).