N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine

C15H14Cl2N2O2 — CID 103114558

IUPACN-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine
SMILESCc1c(CNCc2c(Cl)cccc2Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H14Cl2N2O2/c1-10-11(4-2-7-15(10)19(20)21)8-18-9-12-13(16)5-3-6-14(12)17/h2-7,18H,8-9H2,1H3
InChIKeyRMTURABUMFFOCF-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.50
Rot. Bonds5

About N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine

N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine (PubChem CID 103114558) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.19 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine
PubChem CID103114558
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine
SMILESCc1c(CNCc2c(Cl)cccc2Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H14Cl2N2O2/c1-10-11(4-2-7-15(10)19(20)21)8-18-9-12-13(16)5-3-6-14(12)17/h2-7,18H,8-9H2,1H3
InChIKeyRMTURABUMFFOCF-UHFFFAOYSA-N
XLogP4.50
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 54.50
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

N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 22170308
N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine
CID 43509035
N-methyl-1-(2-methyl-3-nitrophenyl)methanamine
CID 43508926
N-[(2-chloro-6-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine
CID 63746803
N-[(2-chloro-6-nitrophenyl)methyl]ethanamine
CID 63745777
N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine
CID 103114695
1-(2-methyl-3-nitrophenyl)-N-[(5-nitrothiophen-2-yl)methyl]methanamine
CID 103528033
1-chloro-2-methyl-3-nitrobenzene
CID 6740
3-[[(2-methyl-3-nitrophenyl)methylamino]methyl]phenol
CID 103114699
1-(3-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine
CID 43509052
N-[(2-chloro-6-nitrophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 63746130
N-[(5-bromofuran-2-yl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine
CID 103820239

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine (CID 103114558) is N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine is Cc1c(CNCc2c(Cl)cccc2Cl)cccc1[N+](=O)[O-].
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine?
The InChIKey is RMTURABUMFFOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-10-11(4-2-7-15(10)19(20)21)8-18-9-12-13(16)5-3-6-14(12)17/h2-7,18H,8-9H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine?
N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine has a molecular weight of 325.19 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine is sourced from PubChem (CID 103114558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).