N-[(2-chloro-4-nitrophenyl)methyl]-2,6-dimethylaniline

C15H15ClN2O2 — CID 62332093

IUPACN-[(2-chloro-4-nitrophenyl)methyl]-2,6-dimethylaniline
SMILESCc1cccc(C)c1NCc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-10-4-3-5-11(2)15(10)17-9-12-6-7-13(18(19)20)8-14(12)16/h3-8,17H,9H2,1-2H3
InChIKeyUGEJZGAPAGGCEY-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.48
Rot. Bonds4

About N-[(2-chloro-4-nitrophenyl)methyl]-2,6-dimethylaniline

N-[(2-chloro-4-nitrophenyl)methyl]-2,6-dimethylaniline (PubChem CID 62332093) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-[(2-chloro-4-nitrophenyl)methyl]-2,6-dimethylaniline.

Molecular Properties

Compound NameN-[(2-chloro-4-nitrophenyl)methyl]-2,6-dimethylaniline
PubChem CID62332093
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-[(2-chloro-4-nitrophenyl)methyl]-2,6-dimethylaniline
SMILESCc1cccc(C)c1NCc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-10-4-3-5-11(2)15(10)17-9-12-6-7-13(18(19)20)8-14(12)16/h3-8,17H,9H2,1-2H3
InChIKeyUGEJZGAPAGGCEY-UHFFFAOYSA-N
XLogP4.48
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.48
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

2,6-dibromo-N-[(2-chloro-4-nitrophenyl)methyl]-4-methylaniline
CID 63488167
1-(2-chloro-4-nitrophenyl)-N-methoxymethanamine
CID 64973951
2,6-dimethyl-N-[(3-nitrophenyl)methyl]aniline
CID 60688842
2-bromo-N-[(2-chloro-4-nitrophenyl)methyl]-4-methylaniline
CID 63490140
N-[(2-chloro-4-nitrophenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 63491389
2-chloro-N-[(2-fluoro-3-nitrophenyl)methyl]-6-methylaniline
CID 107349267
2-bromo-6-chloro-N-[(2-chloro-4-nitrophenyl)methyl]-4-fluoroaniline
CID 107611307
N-[(2-chloro-4-nitrophenyl)methyl]-4-ethylsulfonylaniline
CID 133462501
1-(2-chloro-4-nitrophenyl)-N-ethoxymethanamine
CID 64974333
(1R)-N-[(2-chloro-4-nitrophenyl)methyl]-1-phenylethanamine
CID 78953005
3-chloro-N-[(2-chloro-5-nitrophenyl)methyl]-2-methylaniline
CID 43462231
2-chloro-N-[(2,3-dichlorophenyl)methyl]-4-nitroaniline
CID 43686163

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-nitrophenyl)methyl]-2,6-dimethylaniline?
The IUPAC name of N-[(2-chloro-4-nitrophenyl)methyl]-2,6-dimethylaniline (CID 62332093) is N-[(2-chloro-4-nitrophenyl)methyl]-2,6-dimethylaniline.
What is the SMILES notation for N-[(2-chloro-4-nitrophenyl)methyl]-2,6-dimethylaniline?
The canonical SMILES for N-[(2-chloro-4-nitrophenyl)methyl]-2,6-dimethylaniline is Cc1cccc(C)c1NCc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-[(2-chloro-4-nitrophenyl)methyl]-2,6-dimethylaniline?
The InChIKey is UGEJZGAPAGGCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10-4-3-5-11(2)15(10)17-9-12-6-7-13(18(19)20)8-14(12)16/h3-8,17H,9H2,1-2H3.
What are the key properties of N-[(2-chloro-4-nitrophenyl)methyl]-2,6-dimethylaniline?
N-[(2-chloro-4-nitrophenyl)methyl]-2,6-dimethylaniline has a molecular weight of 290.75 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-nitrophenyl)methyl]-2,6-dimethylaniline is sourced from PubChem (CID 62332093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).