N'-(1,3-benzodioxol-5-yl)-N'-(furan-2-ylmethyl)ethane-1,2-diamine

C14H16N2O3 — CID 39360616

IUPACN'-(1,3-benzodioxol-5-yl)-N'-(furan-2-ylmethyl)ethane-1,2-diamine
SMILESNCCN(Cc1ccco1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H16N2O3/c15-5-6-16(9-12-2-1-7-17-12)11-3-4-13-14(8-11)19-10-18-13/h1-4,7-8H,5-6,9-10,15H2
InChIKeyLXZYKYMJZSMGRO-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.97
Rot. Bonds5

About N'-(1,3-benzodioxol-5-yl)-N'-(furan-2-ylmethyl)ethane-1,2-diamine

N'-(1,3-benzodioxol-5-yl)-N'-(furan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 39360616) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N'-(1,3-benzodioxol-5-yl)-N'-(furan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,3-benzodioxol-5-yl)-N'-(furan-2-ylmethyl)ethane-1,2-diamine
PubChem CID39360616
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN'-(1,3-benzodioxol-5-yl)-N'-(furan-2-ylmethyl)ethane-1,2-diamine
SMILESNCCN(Cc1ccco1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H16N2O3/c15-5-6-16(9-12-2-1-7-17-12)11-3-4-13-14(8-11)19-10-18-13/h1-4,7-8H,5-6,9-10,15H2
InChIKeyLXZYKYMJZSMGRO-UHFFFAOYSA-N
XLogP1.97
TPSA60.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(furan-2-ylmethyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 28771280
N'-(3,4-difluorophenyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine
CID 28771067
[4-[[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 23824329
N-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840907
N'-(1,3-benzodioxol-5-yl)-N'-propan-2-ylethane-1,2-diamine
CID 83822866
N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide
CID 110690742
N'-(furan-2-ylmethyl)-N'-(2-methoxyphenyl)ethane-1,2-diamine
CID 28771828
1-(1,3-benzodioxol-5-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine
CID 159683167
N-(1,3-benzodioxol-5-yl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138579
4-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]butan-1-ol
CID 111439826
3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea
CID 38213350
3-[5-[[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]methyl]furan-2-yl]pentan-3-ol
CID 42838421

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzodioxol-5-yl)-N'-(furan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(1,3-benzodioxol-5-yl)-N'-(furan-2-ylmethyl)ethane-1,2-diamine (CID 39360616) is N'-(1,3-benzodioxol-5-yl)-N'-(furan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1,3-benzodioxol-5-yl)-N'-(furan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1,3-benzodioxol-5-yl)-N'-(furan-2-ylmethyl)ethane-1,2-diamine is NCCN(Cc1ccco1)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-(1,3-benzodioxol-5-yl)-N'-(furan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is LXZYKYMJZSMGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c15-5-6-16(9-12-2-1-7-17-12)11-3-4-13-14(8-11)19-10-18-13/h1-4,7-8H,5-6,9-10,15H2.
What are the key properties of N'-(1,3-benzodioxol-5-yl)-N'-(furan-2-ylmethyl)ethane-1,2-diamine?
N'-(1,3-benzodioxol-5-yl)-N'-(furan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 260.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzodioxol-5-yl)-N'-(furan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 39360616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).