N-[(2-chloro-6-nitrophenyl)methyl]-1-(2,5-difluorophenyl)methanamine

C14H11ClF2N2O2 — CID 63794809

IUPACN-[(2-chloro-6-nitrophenyl)methyl]-1-(2,5-difluorophenyl)methanamine
SMILESO=[N+]([O-])c1cccc(Cl)c1CNCc1cc(F)ccc1F
InChIInChI=1S/C14H11ClF2N2O2/c15-12-2-1-3-14(19(20)21)11(12)8-18-7-9-6-10(16)4-5-13(9)17/h1-6,18H,7-8H2
InChIKeyQEQLAJBESAFRTD-UHFFFAOYSA-N
MW312.70 g/mol
LogP3.82
Rot. Bonds5

About N-[(2-chloro-6-nitrophenyl)methyl]-1-(2,5-difluorophenyl)methanamine

N-[(2-chloro-6-nitrophenyl)methyl]-1-(2,5-difluorophenyl)methanamine (PubChem CID 63794809) has the molecular formula C14H11ClF2N2O2 and a molecular weight of 312.70 g/mol. Its IUPAC name is N-[(2-chloro-6-nitrophenyl)methyl]-1-(2,5-difluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-nitrophenyl)methyl]-1-(2,5-difluorophenyl)methanamine
PubChem CID63794809
Molecular FormulaC14H11ClF2N2O2
Molecular Weight312.70 g/mol
Exact Mass312.05
IUPAC NameN-[(2-chloro-6-nitrophenyl)methyl]-1-(2,5-difluorophenyl)methanamine
SMILESO=[N+]([O-])c1cccc(Cl)c1CNCc1cc(F)ccc1F
InChIInChI=1S/C14H11ClF2N2O2/c15-12-2-1-3-14(19(20)21)11(12)8-18-7-9-6-10(16)4-5-13(9)17/h1-6,18H,7-8H2
InChIKeyQEQLAJBESAFRTD-UHFFFAOYSA-N
XLogP3.82
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.70
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-chloro-N-[(2,5-difluorophenyl)methyl]-6-nitroaniline
CID 63795168
N-[(2,5-difluorophenyl)methyl]-1-(5-fluoro-2-nitrophenyl)methanamine
CID 63796050
3-chloro-2-[[(2,5-difluorophenyl)methylamino]methyl]phenol
CID 78960259
N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-nitrophenyl)methanamine
CID 102615632
N-[(2,5-difluorophenyl)methyl]-2-(2-nitrophenyl)ethanamine
CID 63793575
N-[(2-chloro-6-nitrophenyl)methyl]ethanamine
CID 63745777
N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine
CID 103114558
N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-fluoro-2-nitrophenyl)methanamine
CID 61301011
N-[(2-chloro-6-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine
CID 63746803
N-[(2-chloro-6-nitrophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 63746130
1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine
CID 55193888
(2-chloro-6-nitrophenyl)methylhydrazine
CID 63746619

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-nitrophenyl)methyl]-1-(2,5-difluorophenyl)methanamine?
The IUPAC name of N-[(2-chloro-6-nitrophenyl)methyl]-1-(2,5-difluorophenyl)methanamine (CID 63794809) is N-[(2-chloro-6-nitrophenyl)methyl]-1-(2,5-difluorophenyl)methanamine.
What is the SMILES notation for N-[(2-chloro-6-nitrophenyl)methyl]-1-(2,5-difluorophenyl)methanamine?
The canonical SMILES for N-[(2-chloro-6-nitrophenyl)methyl]-1-(2,5-difluorophenyl)methanamine is O=[N+]([O-])c1cccc(Cl)c1CNCc1cc(F)ccc1F.
What is the InChIKey of N-[(2-chloro-6-nitrophenyl)methyl]-1-(2,5-difluorophenyl)methanamine?
The InChIKey is QEQLAJBESAFRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O2/c15-12-2-1-3-14(19(20)21)11(12)8-18-7-9-6-10(16)4-5-13(9)17/h1-6,18H,7-8H2.
What are the key properties of N-[(2-chloro-6-nitrophenyl)methyl]-1-(2,5-difluorophenyl)methanamine?
N-[(2-chloro-6-nitrophenyl)methyl]-1-(2,5-difluorophenyl)methanamine has a molecular weight of 312.70 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-nitrophenyl)methyl]-1-(2,5-difluorophenyl)methanamine is sourced from PubChem (CID 63794809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).