2-chloro-5-methoxy-N-(2-methoxyethyl)-N-methyl-4-nitroaniline

C11H15ClN2O4 — CID 142513074

IUPAC2-chloro-5-methoxy-N-(2-methoxyethyl)-N-methyl-4-nitroaniline
SMILESCOCCN(C)c1cc(OC)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H15ClN2O4/c1-13(4-5-17-2)9-7-11(18-3)10(14(15)16)6-8(9)12/h6-7H,4-5H2,1-3H3
InChIKeySZXOZFFZRXWGMO-UHFFFAOYSA-N
MW274.70 g/mol
LogP2.34
Rot. Bonds6

About 2-chloro-5-methoxy-N-(2-methoxyethyl)-N-methyl-4-nitroaniline

2-chloro-5-methoxy-N-(2-methoxyethyl)-N-methyl-4-nitroaniline (PubChem CID 142513074) has the molecular formula C11H15ClN2O4 and a molecular weight of 274.70 g/mol. Its IUPAC name is 2-chloro-5-methoxy-N-(2-methoxyethyl)-N-methyl-4-nitroaniline.

Molecular Properties

Compound Name2-chloro-5-methoxy-N-(2-methoxyethyl)-N-methyl-4-nitroaniline
PubChem CID142513074
Molecular FormulaC11H15ClN2O4
Molecular Weight274.70 g/mol
Exact Mass274.07
IUPAC Name2-chloro-5-methoxy-N-(2-methoxyethyl)-N-methyl-4-nitroaniline
SMILESCOCCN(C)c1cc(OC)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H15ClN2O4/c1-13(4-5-17-2)9-7-11(18-3)10(14(15)16)6-8(9)12/h6-7H,4-5H2,1-3H3
InChIKeySZXOZFFZRXWGMO-UHFFFAOYSA-N
XLogP2.34
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-chloro-4-methoxy-2-(methoxymethyl)-5-nitrobenzene
CID 130271092
N-(2-methoxyethyl)-N,4-dimethyl-2-nitroaniline
CID 143918275
4-(bromomethyl)-N-(2-methoxyethyl)-N-methyl-2-nitroaniline
CID 107081170
1-[4-[2-methoxyethyl(methyl)amino]-3-nitrophenyl]ethanone
CID 61038514
(1S)-1-[4-[2-methoxyethyl(methyl)amino]-3-nitrophenyl]ethanol
CID 78940068
(1R)-1-[4-[2-methoxyethyl(methyl)amino]-3-nitrophenyl]ethanol
CID 63371360
1-chloro-2,5-dimethoxy-4-nitrobenzene;methanol
CID 174813767
2-(2-chloro-5-methoxy-4-nitrophenyl)ethanol
CID 67469173
4-[2-methoxyethyl(methyl)amino]-2-methyl-5-nitrobenzoic acid
CID 151745509
N-[(4-chloro-3-nitrophenyl)methyl]-2-methoxy-N-methylethanamine
CID 61427202
1-bromo-2-chloro-5-(2-methoxyethoxy)-4-nitrobenzene
CID 75537168
2-(2-chloro-4-methoxy-5-nitrophenyl)acetic acid
CID 171002675

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-N-(2-methoxyethyl)-N-methyl-4-nitroaniline?
The IUPAC name of 2-chloro-5-methoxy-N-(2-methoxyethyl)-N-methyl-4-nitroaniline (CID 142513074) is 2-chloro-5-methoxy-N-(2-methoxyethyl)-N-methyl-4-nitroaniline.
What is the SMILES notation for 2-chloro-5-methoxy-N-(2-methoxyethyl)-N-methyl-4-nitroaniline?
The canonical SMILES for 2-chloro-5-methoxy-N-(2-methoxyethyl)-N-methyl-4-nitroaniline is COCCN(C)c1cc(OC)c([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-5-methoxy-N-(2-methoxyethyl)-N-methyl-4-nitroaniline?
The InChIKey is SZXOZFFZRXWGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4/c1-13(4-5-17-2)9-7-11(18-3)10(14(15)16)6-8(9)12/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-chloro-5-methoxy-N-(2-methoxyethyl)-N-methyl-4-nitroaniline?
2-chloro-5-methoxy-N-(2-methoxyethyl)-N-methyl-4-nitroaniline has a molecular weight of 274.70 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-N-(2-methoxyethyl)-N-methyl-4-nitroaniline is sourced from PubChem (CID 142513074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).