1-cyclopropyl-N-methyl-2-(2-methyl-6-nitrophenyl)ethanamine

C13H18N2O2 — CID 115554145

IUPAC1-cyclopropyl-N-methyl-2-(2-methyl-6-nitrophenyl)ethanamine
SMILESCNC(Cc1c(C)cccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C13H18N2O2/c1-9-4-3-5-13(15(16)17)11(9)8-12(14-2)10-6-7-10/h3-5,10,12,14H,6-8H2,1-2H3
InChIKeySTXGQXBTUFXITA-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.44
Rot. Bonds5

About 1-cyclopropyl-N-methyl-2-(2-methyl-6-nitrophenyl)ethanamine

1-cyclopropyl-N-methyl-2-(2-methyl-6-nitrophenyl)ethanamine (PubChem CID 115554145) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-2-(2-methyl-6-nitrophenyl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-2-(2-methyl-6-nitrophenyl)ethanamine
PubChem CID115554145
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-cyclopropyl-N-methyl-2-(2-methyl-6-nitrophenyl)ethanamine
SMILESCNC(Cc1c(C)cccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C13H18N2O2/c1-9-4-3-5-13(15(16)17)11(9)8-12(14-2)10-6-7-10/h3-5,10,12,14H,6-8H2,1-2H3
InChIKeySTXGQXBTUFXITA-UHFFFAOYSA-N
XLogP2.44
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.44
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-(2-chloro-2-cyclopropylethyl)-1-methyl-3-nitrobenzene
CID 115554188
N-methyl-1-(2-methyl-6-nitrophenyl)pentan-2-amine
CID 115554130
1-cyclopropyl-N-methyl-3-(2-nitrophenyl)propan-1-amine
CID 63354955
methyl 2-chloro-3-(2-methyl-6-nitrophenyl)propanoate
CID 83194876
1-cyclopropyl-N-methyl-4-(2-nitrophenyl)butan-1-amine
CID 63355466
1-cyclopropyl-3-(2-fluoro-3-nitrophenyl)-N-methylpropan-1-amine
CID 107350060
3-methyl-1-(2-methyl-6-nitrophenyl)butan-2-ol
CID 115554163
2-(cyclopentyloxymethyl)-1-methyl-3-nitrobenzene
CID 122651735
1-cyclopropyl-N-methyl-2-(2-nitrophenyl)sulfonylethanamine
CID 64646113
N-ethyl-3,3-dimethyl-1-(2-methyl-6-nitrophenyl)butan-2-amine
CID 115554122
1-(2-methyl-6-nitrophenyl)-N-propylbutan-2-amine
CID 115554126
1-cyclopropyl-N-methyl-2-[(3-nitro-2-pyridinyl)oxy]ethanamine
CID 71144946

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-2-(2-methyl-6-nitrophenyl)ethanamine?
The IUPAC name of 1-cyclopropyl-N-methyl-2-(2-methyl-6-nitrophenyl)ethanamine (CID 115554145) is 1-cyclopropyl-N-methyl-2-(2-methyl-6-nitrophenyl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-2-(2-methyl-6-nitrophenyl)ethanamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-2-(2-methyl-6-nitrophenyl)ethanamine is CNC(Cc1c(C)cccc1[N+](=O)[O-])C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-2-(2-methyl-6-nitrophenyl)ethanamine?
The InChIKey is STXGQXBTUFXITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-4-3-5-13(15(16)17)11(9)8-12(14-2)10-6-7-10/h3-5,10,12,14H,6-8H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-methyl-2-(2-methyl-6-nitrophenyl)ethanamine?
1-cyclopropyl-N-methyl-2-(2-methyl-6-nitrophenyl)ethanamine has a molecular weight of 234.30 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-2-(2-methyl-6-nitrophenyl)ethanamine is sourced from PubChem (CID 115554145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).