N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine

C12H18N2O — CID 115197732

IUPACN'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine
SMILESCNCCCNc1ccc2c(c1)CCO2
InChIInChI=1S/C12H18N2O/c1-13-6-2-7-14-11-3-4-12-10(9-11)5-8-15-12/h3-4,9,13-14H,2,5-8H2,1H3
InChIKeyZNBXNSNZPCDUNT-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.64
Rot. Bonds5

About N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine

N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine (PubChem CID 115197732) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine
PubChem CID115197732
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine
SMILESCNCCCNc1ccc2c(c1)CCO2
InChIInChI=1S/C12H18N2O/c1-13-6-2-7-14-11-3-4-12-10(9-11)5-8-15-12/h3-4,9,13-14H,2,5-8H2,1H3
InChIKeyZNBXNSNZPCDUNT-UHFFFAOYSA-N
XLogP1.64
TPSA33.29 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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbutane-1,4-diamine
CID 115201733
N'-tert-butyl-N-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine
CID 107445174
4-(2,3-dihydro-1-benzofuran-5-ylamino)butanoic acid
CID 115218481
N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732657
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115197636
N'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine
CID 115201022
N'-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylbutane-1,4-diamine
CID 115201852
N-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 62345020
N-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 119965027
N-undecan-6-yl-2,3-dihydro-1-benzofuran-5-amine
CID 43788575
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115243911
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-6-amine
CID 115244530

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine?
The IUPAC name of N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine (CID 115197732) is N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine is CNCCCNc1ccc2c(c1)CCO2.
What is the InChIKey of N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine?
The InChIKey is ZNBXNSNZPCDUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-13-6-2-7-14-11-3-4-12-10(9-11)5-8-15-12/h3-4,9,13-14H,2,5-8H2,1H3.
What are the key properties of N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine?
N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.64, 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-5-yl)-N-methylpropane-1,3-diamine is sourced from PubChem (CID 115197732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).