N-(2-ethylcyclopropyl)-2-methyl-4-nitroaniline

C12H16N2O2 — CID 103720942

IUPACN-(2-ethylcyclopropyl)-2-methyl-4-nitroaniline
SMILESCCC1CC1Nc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C12H16N2O2/c1-3-9-7-12(9)13-11-5-4-10(14(15)16)6-8(11)2/h4-6,9,12-13H,3,7H2,1-2H3
InChIKeyLDGGQMUXKBXSQW-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.11
Rot. Bonds4

About N-(2-ethylcyclopropyl)-2-methyl-4-nitroaniline

N-(2-ethylcyclopropyl)-2-methyl-4-nitroaniline (PubChem CID 103720942) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(2-ethylcyclopropyl)-2-methyl-4-nitroaniline.

Molecular Properties

Compound NameN-(2-ethylcyclopropyl)-2-methyl-4-nitroaniline
PubChem CID103720942
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(2-ethylcyclopropyl)-2-methyl-4-nitroaniline
SMILESCCC1CC1Nc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C12H16N2O2/c1-3-9-7-12(9)13-11-5-4-10(14(15)16)6-8(11)2/h4-6,9,12-13H,3,7H2,1-2H3
InChIKeyLDGGQMUXKBXSQW-UHFFFAOYSA-N
XLogP3.11
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.11
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

trans-(1R,2R)-2-N-(2-methyl-4-nitrophenyl)cyclohexane-1,2-diamine
CID 93453752
2-N-(2-methyl-4-nitrophenyl)cyclohexane-1,2-diamine
CID 54905535
N-(4-ethylcyclohexyl)-2-methyl-4-nitroaniline
CID 43719897
2-(2-methyl-4-nitroanilino)cyclohexan-1-ol
CID 62359446
N-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline
CID 113483374
N-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline
CID 64750773
N-cyclopentyl-2-methyl-4-nitroaniline
CID 3683454
2-methyl-N-(2-methyl-4-nitrophenyl)thiolan-3-amine
CID 114080058
2-methyl-4-nitro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64757267
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methyl-4-nitroaniline
CID 64851910
N-(2-methyl-4-nitrophenyl)-4-propylcycloheptan-1-amine
CID 65086964
N-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline
CID 64594683

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclopropyl)-2-methyl-4-nitroaniline?
The IUPAC name of N-(2-ethylcyclopropyl)-2-methyl-4-nitroaniline (CID 103720942) is N-(2-ethylcyclopropyl)-2-methyl-4-nitroaniline.
What is the SMILES notation for N-(2-ethylcyclopropyl)-2-methyl-4-nitroaniline?
The canonical SMILES for N-(2-ethylcyclopropyl)-2-methyl-4-nitroaniline is CCC1CC1Nc1ccc([N+](=O)[O-])cc1C.
What is the InChIKey of N-(2-ethylcyclopropyl)-2-methyl-4-nitroaniline?
The InChIKey is LDGGQMUXKBXSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-9-7-12(9)13-11-5-4-10(14(15)16)6-8(11)2/h4-6,9,12-13H,3,7H2,1-2H3.
What are the key properties of N-(2-ethylcyclopropyl)-2-methyl-4-nitroaniline?
N-(2-ethylcyclopropyl)-2-methyl-4-nitroaniline has a molecular weight of 220.27 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclopropyl)-2-methyl-4-nitroaniline is sourced from PubChem (CID 103720942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).