2-chloro-N-[(2-ethylphenyl)methyl]-5-nitroaniline

C15H15ClN2O2 — CID 63444733

IUPAC2-chloro-N-[(2-ethylphenyl)methyl]-5-nitroaniline
SMILESCCc1ccccc1CNc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-2-11-5-3-4-6-12(11)10-17-15-9-13(18(19)20)7-8-14(15)16/h3-9,17H,2,10H2,1H3
InChIKeyKNRVFMDBIPILML-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.42
Rot. Bonds5

About 2-chloro-N-[(2-ethylphenyl)methyl]-5-nitroaniline

2-chloro-N-[(2-ethylphenyl)methyl]-5-nitroaniline (PubChem CID 63444733) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-chloro-N-[(2-ethylphenyl)methyl]-5-nitroaniline.

Molecular Properties

Compound Name2-chloro-N-[(2-ethylphenyl)methyl]-5-nitroaniline
PubChem CID63444733
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-chloro-N-[(2-ethylphenyl)methyl]-5-nitroaniline
SMILESCCc1ccccc1CNc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-2-11-5-3-4-6-12(11)10-17-15-9-13(18(19)20)7-8-14(15)16/h3-9,17H,2,10H2,1H3
InChIKeyKNRVFMDBIPILML-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-chlorophenyl)methyl]-5-nitroaniline
CID 43718808
N-[(2-chloro-5-nitrophenyl)methyl]-2-ethylaniline
CID 43462286
2-chloro-N-[(2-methoxyphenyl)methyl]-5-nitroaniline
CID 43718821
2-chloro-N-[(4-ethylphenyl)methyl]-5-nitroaniline
CID 43718825
N-[(2-ethylphenyl)methyl]-2-methoxy-5-nitroaniline
CID 62391579
2-chloro-N-ethyl-5-nitroaniline
CID 43718971
N-[(2-ethylphenyl)methyl]-2-methoxy-4-nitroaniline
CID 62391071
N-[(2-ethylphenyl)methyl]-2-(methoxymethyl)-4-nitroaniline
CID 133340690
2-chloro-5-nitro-N-(pyridin-2-ylmethyl)aniline
CID 43718883
2-chloro-N-[(4-chlorophenyl)methyl]-5-nitroaniline
CID 43718811
N-[(2-bromo-4-nitrophenyl)methyl]-2-ethylaniline
CID 60792155
2-chloro-N-[(3,4-dimethylphenyl)methyl]-5-nitroaniline
CID 43785643

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-ethylphenyl)methyl]-5-nitroaniline?
The IUPAC name of 2-chloro-N-[(2-ethylphenyl)methyl]-5-nitroaniline (CID 63444733) is 2-chloro-N-[(2-ethylphenyl)methyl]-5-nitroaniline.
What is the SMILES notation for 2-chloro-N-[(2-ethylphenyl)methyl]-5-nitroaniline?
The canonical SMILES for 2-chloro-N-[(2-ethylphenyl)methyl]-5-nitroaniline is CCc1ccccc1CNc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-[(2-ethylphenyl)methyl]-5-nitroaniline?
The InChIKey is KNRVFMDBIPILML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-2-11-5-3-4-6-12(11)10-17-15-9-13(18(19)20)7-8-14(15)16/h3-9,17H,2,10H2,1H3.
What are the key properties of 2-chloro-N-[(2-ethylphenyl)methyl]-5-nitroaniline?
2-chloro-N-[(2-ethylphenyl)methyl]-5-nitroaniline 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 2-chloro-N-[(2-ethylphenyl)methyl]-5-nitroaniline is sourced from PubChem (CID 63444733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).