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

C12H18N2O — CID 79226752

IUPACN'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
SMILESNCCCNCC1COc2ccccc21
InChIInChI=1S/C12H18N2O/c13-6-3-7-14-8-10-9-15-12-5-2-1-4-11(10)12/h1-2,4-5,10,14H,3,6-9,13H2
InChIKeyPRXBRGGMIWGHOR-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.10
Rot. Bonds5

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

N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine (PubChem CID 79226752) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
PubChem CID79226752
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
SMILESNCCCNCC1COc2ccccc21
InChIInChI=1S/C12H18N2O/c13-6-3-7-14-8-10-9-15-12-5-2-1-4-11(10)12/h1-2,4-5,10,14H,3,6-9,13H2
InChIKeyPRXBRGGMIWGHOR-UHFFFAOYSA-N
XLogP1.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-amine
CID 106844833
4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide
CID 79225953
5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine
CID 107320375
6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine
CID 114008270
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine
CID 79227145
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine
CID 79227067
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 79226994
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 79226973
N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propane-1,3-diamine
CID 10680551
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405504
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanamine
CID 79218793

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine (CID 79226752) is N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine is NCCCNCC1COc2ccccc21.
What is the InChIKey of N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine?
The InChIKey is PRXBRGGMIWGHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-6-3-7-14-8-10-9-15-12-5-2-1-4-11(10)12/h1-2,4-5,10,14H,3,6-9,13H2.
What are the key properties of N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine?
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 79226752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).