N',N'-dimethyl-N-[5-(2-nitrophenyl)furan-3-yl]ethane-1,2-diamine

C14H17N3O3 — CID 174458799

IUPACN',N'-dimethyl-N-[5-(2-nitrophenyl)furan-3-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1coc(-c2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H17N3O3/c1-16(2)8-7-15-11-9-14(20-10-11)12-5-3-4-6-13(12)17(18)19/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyBWCUZQDZVWLLPE-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.83
Rot. Bonds6

About N',N'-dimethyl-N-[5-(2-nitrophenyl)furan-3-yl]ethane-1,2-diamine

N',N'-dimethyl-N-[5-(2-nitrophenyl)furan-3-yl]ethane-1,2-diamine (PubChem CID 174458799) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N',N'-dimethyl-N-[5-(2-nitrophenyl)furan-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[5-(2-nitrophenyl)furan-3-yl]ethane-1,2-diamine
PubChem CID174458799
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN',N'-dimethyl-N-[5-(2-nitrophenyl)furan-3-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1coc(-c2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H17N3O3/c1-16(2)8-7-15-11-9-14(20-10-11)12-5-3-4-6-13(12)17(18)19/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyBWCUZQDZVWLLPE-UHFFFAOYSA-N
XLogP2.83
TPSA71.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-nitrobenzamide
CID 15287848
2-[2,6-bis(2-nitrophenyl)phenoxy]-N,N-dimethylethanamine
CID 156868330
3-N-[2-(dimethylamino)ethyl]-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80770656
2-[2-(dimethylamino)ethylamino]-2-(2-nitrophenyl)acetic acid
CID 84748520
N-[2-(dimethylamino)ethyl]-1-(2-nitrophenyl)methanesulfonamide
CID 133061058
N-(5-chloro-4-fluoro-2-nitrophenyl)-N',N'-dimethylethane-1,2-diamine
CID 114089224
[4-[2-(dimethylamino)ethylamino]-3-nitrophenyl]methanol
CID 122538724
N-methyl-N-[[5-(2-nitrophenyl)furan-2-yl]methyl]butan-1-amine
CID 30980271
1-[4-[2-(dimethylamino)ethylamino]-3-nitrophenyl]ethanone
CID 98016149
N-(3-methoxy-4-nitrophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 63671596
1-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-nitrobenzene-1,3-diamine
CID 106749260
N-[2-(dimethylamino)ethyl]-5-(2-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 166154893

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[5-(2-nitrophenyl)furan-3-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[5-(2-nitrophenyl)furan-3-yl]ethane-1,2-diamine (CID 174458799) is N',N'-dimethyl-N-[5-(2-nitrophenyl)furan-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[5-(2-nitrophenyl)furan-3-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[5-(2-nitrophenyl)furan-3-yl]ethane-1,2-diamine is CN(C)CCNc1coc(-c2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of N',N'-dimethyl-N-[5-(2-nitrophenyl)furan-3-yl]ethane-1,2-diamine?
The InChIKey is BWCUZQDZVWLLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-16(2)8-7-15-11-9-14(20-10-11)12-5-3-4-6-13(12)17(18)19/h3-6,9-10,15H,7-8H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-[5-(2-nitrophenyl)furan-3-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[5-(2-nitrophenyl)furan-3-yl]ethane-1,2-diamine has a molecular weight of 275.31 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[5-(2-nitrophenyl)furan-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 174458799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).