3-chloro-N-cyclopropyl-N-methyl-2-nitroaniline

C10H11ClN2O2 — CID 104838791

IUPAC3-chloro-N-cyclopropyl-N-methyl-2-nitroaniline
SMILESCN(c1cccc(Cl)c1[N+](=O)[O-])C1CC1
InChIInChI=1S/C10H11ClN2O2/c1-12(7-5-6-7)9-4-2-3-8(11)10(9)13(14)15/h2-4,7H,5-6H2,1H3
InChIKeyBTIBXFUAUOBNJD-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.85
Rot. Bonds3

About 3-chloro-N-cyclopropyl-N-methyl-2-nitroaniline

3-chloro-N-cyclopropyl-N-methyl-2-nitroaniline (PubChem CID 104838791) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-N-methyl-2-nitroaniline.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-N-methyl-2-nitroaniline
PubChem CID104838791
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name3-chloro-N-cyclopropyl-N-methyl-2-nitroaniline
SMILESCN(c1cccc(Cl)c1[N+](=O)[O-])C1CC1
InChIInChI=1S/C10H11ClN2O2/c1-12(7-5-6-7)9-4-2-3-8(11)10(9)13(14)15/h2-4,7H,5-6H2,1H3
InChIKeyBTIBXFUAUOBNJD-UHFFFAOYSA-N
XLogP2.85
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.85
H-Bond Donors ≤ 50
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-(3-chloro-2-nitrophenyl)-N-methylazetidin-3-amine
CID 104839405
3-[cycloheptyl(methyl)amino]-2-nitrobenzoic acid
CID 115542201
3-chloro-N-(cyclopropylmethyl)-2-nitro-N-propylaniline
CID 104838880
3-N-cyclohexyl-1-N,3-N-dimethyl-2-nitrobenzene-1,3-diamine
CID 80762054
3-N-cyclopentyl-3-N-methyl-2-nitro-1-N-propylbenzene-1,3-diamine
CID 80775484
3-chloro-N-cyclopropyl-2-nitro-N-(thiophen-3-ylmethyl)aniline
CID 104838873
3-[(3-chloro-N-methyl-2-nitroanilino)methyl]cyclobutan-1-ol
CID 104839073
3-chloro-N-(3-fluorophenyl)-N-methyl-2-nitroaniline
CID 104838971
1-(3-chloro-2-nitrophenyl)-N,N-dimethylpiperidin-4-amine
CID 104838828
N'-(3-chloro-2-nitrophenyl)-N'-methylpropane-1,3-diamine
CID 104839457
3-chloro-N-ethyl-N-(2-methylphenyl)-2-nitroaniline
CID 104838684
3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-nitroaniline
CID 104839087

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-N-methyl-2-nitroaniline?
The IUPAC name of 3-chloro-N-cyclopropyl-N-methyl-2-nitroaniline (CID 104838791) is 3-chloro-N-cyclopropyl-N-methyl-2-nitroaniline.
What is the SMILES notation for 3-chloro-N-cyclopropyl-N-methyl-2-nitroaniline?
The canonical SMILES for 3-chloro-N-cyclopropyl-N-methyl-2-nitroaniline is CN(c1cccc(Cl)c1[N+](=O)[O-])C1CC1.
What is the InChIKey of 3-chloro-N-cyclopropyl-N-methyl-2-nitroaniline?
The InChIKey is BTIBXFUAUOBNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-12(7-5-6-7)9-4-2-3-8(11)10(9)13(14)15/h2-4,7H,5-6H2,1H3.
What are the key properties of 3-chloro-N-cyclopropyl-N-methyl-2-nitroaniline?
3-chloro-N-cyclopropyl-N-methyl-2-nitroaniline has a molecular weight of 226.66 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-N-methyl-2-nitroaniline is sourced from PubChem (CID 104838791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).