N-[(5-chloro-2-nitrophenyl)methyl]-2-(4-chlorophenyl)ethanamine

C15H14Cl2N2O2 — CID 78998989

IUPACN-[(5-chloro-2-nitrophenyl)methyl]-2-(4-chlorophenyl)ethanamine
SMILESO=[N+]([O-])c1ccc(Cl)cc1CNCCc1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2N2O2/c16-13-3-1-11(2-4-13)7-8-18-10-12-9-14(17)5-6-15(12)19(20)21/h1-6,9,18H,7-8,10H2
InChIKeyKSNYSDZVBIPWNA-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.23
Rot. Bonds6

About N-[(5-chloro-2-nitrophenyl)methyl]-2-(4-chlorophenyl)ethanamine

N-[(5-chloro-2-nitrophenyl)methyl]-2-(4-chlorophenyl)ethanamine (PubChem CID 78998989) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.19 g/mol. Its IUPAC name is N-[(5-chloro-2-nitrophenyl)methyl]-2-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-nitrophenyl)methyl]-2-(4-chlorophenyl)ethanamine
PubChem CID78998989
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC NameN-[(5-chloro-2-nitrophenyl)methyl]-2-(4-chlorophenyl)ethanamine
SMILESO=[N+]([O-])c1ccc(Cl)cc1CNCCc1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2N2O2/c16-13-3-1-11(2-4-13)7-8-18-10-12-9-14(17)5-6-15(12)19(20)21/h1-6,9,18H,7-8,10H2
InChIKeyKSNYSDZVBIPWNA-UHFFFAOYSA-N
XLogP4.23
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chloro-2-nitrophenyl)methyl]-2-(4-methylphenyl)ethanamine
CID 142706103
4-[2-[(5-chloro-2-nitrophenyl)methylamino]ethyl]-N-prop-2-enylbenzenesulfonamide
CID 155579167
N-[(4-chloro-2-nitrophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 62101565
N-[(4-bromo-2-nitrophenyl)methyl]-2-(4-chlorophenyl)ethanamine
CID 114381150
N-[(5-chloro-2-nitrophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78999083
N-[(5-chloro-2-nitrophenyl)methyl]-2-(cyclohexen-1-yl)ethanamine
CID 78998810
N-[(5-chloro-2-nitrophenyl)methyl]hexan-1-amine
CID 78998811
N-[2-[(5-chloro-2-nitrophenyl)methylamino]ethyl]acetamide
CID 78998670
N-[2-[(5-chloro-2-nitrophenyl)methylamino]ethyl]methanesulfonamide
CID 78999059
N-[(5-chloro-2-nitrophenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 79039573
N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopentylethanamine
CID 78998881
N-[(5-chloro-2-nitrophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 78998749

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-nitrophenyl)methyl]-2-(4-chlorophenyl)ethanamine?
The IUPAC name of N-[(5-chloro-2-nitrophenyl)methyl]-2-(4-chlorophenyl)ethanamine (CID 78998989) is N-[(5-chloro-2-nitrophenyl)methyl]-2-(4-chlorophenyl)ethanamine.
What is the SMILES notation for N-[(5-chloro-2-nitrophenyl)methyl]-2-(4-chlorophenyl)ethanamine?
The canonical SMILES for N-[(5-chloro-2-nitrophenyl)methyl]-2-(4-chlorophenyl)ethanamine is O=[N+]([O-])c1ccc(Cl)cc1CNCCc1ccc(Cl)cc1.
What is the InChIKey of N-[(5-chloro-2-nitrophenyl)methyl]-2-(4-chlorophenyl)ethanamine?
The InChIKey is KSNYSDZVBIPWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c16-13-3-1-11(2-4-13)7-8-18-10-12-9-14(17)5-6-15(12)19(20)21/h1-6,9,18H,7-8,10H2.
What are the key properties of N-[(5-chloro-2-nitrophenyl)methyl]-2-(4-chlorophenyl)ethanamine?
N-[(5-chloro-2-nitrophenyl)methyl]-2-(4-chlorophenyl)ethanamine has a molecular weight of 325.19 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-nitrophenyl)methyl]-2-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 78998989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).