N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbutane-1,4-diamine

C13H20N2O — CID 115201733

IUPACN'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbutane-1,4-diamine
SMILESCNCCCCNc1ccc2c(c1)CCO2
InChIInChI=1S/C13H20N2O/c1-14-7-2-3-8-15-12-4-5-13-11(10-12)6-9-16-13/h4-5,10,14-15H,2-3,6-9H2,1H3
InChIKeyYIEVUIOCXCCDMN-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.03
Rot. Bonds6

About N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbutane-1,4-diamine

N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbutane-1,4-diamine (PubChem CID 115201733) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbutane-1,4-diamine
PubChem CID115201733
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbutane-1,4-diamine
SMILESCNCCCCNc1ccc2c(c1)CCO2
InChIInChI=1S/C13H20N2O/c1-14-7-2-3-8-15-12-4-5-13-11(10-12)6-9-16-13/h4-5,10,14-15H,2-3,6-9H2,1H3
InChIKeyYIEVUIOCXCCDMN-UHFFFAOYSA-N
XLogP2.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.03
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'}

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Related Compounds

N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine
CID 115197732
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'-(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-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732657
N-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 62345020
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115197636
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115243911
N-undecan-6-yl-2,3-dihydro-1-benzofuran-5-amine
CID 43788575
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-6-amine
CID 115244530
N-[(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 105401308

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbutane-1,4-diamine?
The IUPAC name of N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbutane-1,4-diamine (CID 115201733) is N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbutane-1,4-diamine.
What is the SMILES notation for N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbutane-1,4-diamine?
The canonical SMILES for N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbutane-1,4-diamine is CNCCCCNc1ccc2c(c1)CCO2.
What is the InChIKey of N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbutane-1,4-diamine?
The InChIKey is YIEVUIOCXCCDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-14-7-2-3-8-15-12-4-5-13-11(10-12)6-9-16-13/h4-5,10,14-15H,2-3,6-9H2,1H3.
What are the key properties of N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbutane-1,4-diamine?
N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbutane-1,4-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.03, 6 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-methylbutane-1,4-diamine is sourced from PubChem (CID 115201733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).