N'-(2,3-difluoro-6-nitrophenyl)-N'-methylpropane-1,3-diamine

C10H13F2N3O2 — CID 113285828

IUPACN'-(2,3-difluoro-6-nitrophenyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1c([N+](=O)[O-])ccc(F)c1F
InChIInChI=1S/C10H13F2N3O2/c1-14(6-2-5-13)10-8(15(16)17)4-3-7(11)9(10)12/h3-4H,2,5-6,13H2,1H3
InChIKeyOVCKPKDMRWQWHR-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.66
Rot. Bonds5

About N'-(2,3-difluoro-6-nitrophenyl)-N'-methylpropane-1,3-diamine

N'-(2,3-difluoro-6-nitrophenyl)-N'-methylpropane-1,3-diamine (PubChem CID 113285828) has the molecular formula C10H13F2N3O2 and a molecular weight of 245.23 g/mol. Its IUPAC name is N'-(2,3-difluoro-6-nitrophenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,3-difluoro-6-nitrophenyl)-N'-methylpropane-1,3-diamine
PubChem CID113285828
Molecular FormulaC10H13F2N3O2
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC NameN'-(2,3-difluoro-6-nitrophenyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1c([N+](=O)[O-])ccc(F)c1F
InChIInChI=1S/C10H13F2N3O2/c1-14(6-2-5-13)10-8(15(16)17)4-3-7(11)9(10)12/h3-4H,2,5-6,13H2,1H3
InChIKeyOVCKPKDMRWQWHR-UHFFFAOYSA-N
XLogP1.66
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

methyl 3-(2,3-difluoro-N-methyl-6-nitroanilino)propanoate
CID 62532501
2,3-difluoro-N-methyl-6-nitro-N-pentan-3-ylaniline
CID 114281571
N'-[(5-fluoro-2-nitrophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 81493923
N-ethyl-2,6-difluoro-N-methyl-3-nitroaniline
CID 134441637
N-(3-bromopropyl)-2,6-difluoro-N-methyl-3-nitrobenzamide
CID 106441102
N'-(3-ethoxy-4-nitrophenyl)-N'-methylpropane-1,3-diamine
CID 113285812
N-(2,3-difluoro-6-nitrophenyl)-N-ethylazetidin-3-amine
CID 66181559
3-(N-ethyl-2,3-difluoro-6-nitroanilino)butanoic acid
CID 62828330
2,6-difluoro-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzamide
CID 79773192
2,6-difluoro-N-methyl-3-nitro-N-propylbenzamide
CID 113252560
N-(2,3-difluoro-6-nitrophenyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 55098004
N'-(3-chloro-2-nitrophenyl)-N'-methylpropane-1,3-diamine
CID 104839457

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-difluoro-6-nitrophenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(2,3-difluoro-6-nitrophenyl)-N'-methylpropane-1,3-diamine (CID 113285828) is N'-(2,3-difluoro-6-nitrophenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(2,3-difluoro-6-nitrophenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(2,3-difluoro-6-nitrophenyl)-N'-methylpropane-1,3-diamine is CN(CCCN)c1c([N+](=O)[O-])ccc(F)c1F.
What is the InChIKey of N'-(2,3-difluoro-6-nitrophenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is OVCKPKDMRWQWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O2/c1-14(6-2-5-13)10-8(15(16)17)4-3-7(11)9(10)12/h3-4H,2,5-6,13H2,1H3.
What are the key properties of N'-(2,3-difluoro-6-nitrophenyl)-N'-methylpropane-1,3-diamine?
N'-(2,3-difluoro-6-nitrophenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 245.23 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-difluoro-6-nitrophenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 113285828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).