N-[(2-chloro-5-nitrophenyl)methyl]-2-ethylaniline

C15H15ClN2O2 — CID 43462286

IUPACN-[(2-chloro-5-nitrophenyl)methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-2-11-5-3-4-6-15(11)17-10-12-9-13(18(19)20)7-8-14(12)16/h3-9,17H,2,10H2,1H3
InChIKeyVNKNLKRZLIQQOO-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.42
Rot. Bonds5

About N-[(2-chloro-5-nitrophenyl)methyl]-2-ethylaniline

N-[(2-chloro-5-nitrophenyl)methyl]-2-ethylaniline (PubChem CID 43462286) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-[(2-chloro-5-nitrophenyl)methyl]-2-ethylaniline.

Molecular Properties

Compound NameN-[(2-chloro-5-nitrophenyl)methyl]-2-ethylaniline
PubChem CID43462286
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-[(2-chloro-5-nitrophenyl)methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-2-11-5-3-4-6-15(11)17-10-12-9-13(18(19)20)7-8-14(12)16/h3-9,17H,2,10H2,1H3
InChIKeyVNKNLKRZLIQQOO-UHFFFAOYSA-N
XLogP4.42
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.42
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-ethylphenyl)methyl]-5-nitroaniline
CID 63444733
3-chloro-N-[(2-chloro-5-nitrophenyl)methyl]-2-methylaniline
CID 43462231
N-[(2-bromo-4-nitrophenyl)methyl]-2-ethylaniline
CID 60792155
2-chloro-N-[(2-chlorophenyl)methyl]-5-nitroaniline
CID 43718808
N-[(2-ethylphenyl)methyl]-2-(methoxymethyl)-4-nitroaniline
CID 133340690
2-[(2-chloroanilino)methyl]-4-nitrophenol
CID 142621653
2-chloro-N-[(2-methoxyphenyl)methyl]-5-nitroaniline
CID 43718821
N-[[2-(2,4-dinitrophenoxy)phenyl]methyl]-2-ethylaniline
CID 126123177
2-ethyl-N-[(2-nitrophenyl)methyl]aniline
CID 28583356
2,4-dibromo-N-[(2-chloro-5-nitrophenyl)methyl]aniline
CID 43683133
N-[(2-chloro-5-nitrophenyl)methyl]propan-1-amine
CID 43462195
3-chloro-4-[(2-chloro-5-nitrophenyl)methylamino]benzonitrile
CID 107807161

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-nitrophenyl)methyl]-2-ethylaniline?
The IUPAC name of N-[(2-chloro-5-nitrophenyl)methyl]-2-ethylaniline (CID 43462286) is N-[(2-chloro-5-nitrophenyl)methyl]-2-ethylaniline.
What is the SMILES notation for N-[(2-chloro-5-nitrophenyl)methyl]-2-ethylaniline?
The canonical SMILES for N-[(2-chloro-5-nitrophenyl)methyl]-2-ethylaniline is CCc1ccccc1NCc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-[(2-chloro-5-nitrophenyl)methyl]-2-ethylaniline?
The InChIKey is VNKNLKRZLIQQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-2-11-5-3-4-6-15(11)17-10-12-9-13(18(19)20)7-8-14(12)16/h3-9,17H,2,10H2,1H3.
What are the key properties of N-[(2-chloro-5-nitrophenyl)methyl]-2-ethylaniline?
N-[(2-chloro-5-nitrophenyl)methyl]-2-ethylaniline has a molecular weight of 290.75 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-nitrophenyl)methyl]-2-ethylaniline is sourced from PubChem (CID 43462286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).