1-(5-methyl-2-nitrophenyl)cyclopropan-1-amine

C10H12N2O2 — CID 130545851

IUPAC1-(5-methyl-2-nitrophenyl)cyclopropan-1-amine
SMILESCc1ccc([N+](=O)[O-])c(C2(N)CC2)c1
InChIInChI=1S/C10H12N2O2/c1-7-2-3-9(12(13)14)8(6-7)10(11)4-5-10/h2-3,6H,4-5,11H2,1H3
InChIKeyJZAAZROACFOZPW-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.85
Rot. Bonds2

About 1-(5-methyl-2-nitrophenyl)cyclopropan-1-amine

1-(5-methyl-2-nitrophenyl)cyclopropan-1-amine (PubChem CID 130545851) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-(5-methyl-2-nitrophenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-2-nitrophenyl)cyclopropan-1-amine
PubChem CID130545851
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-(5-methyl-2-nitrophenyl)cyclopropan-1-amine
SMILESCc1ccc([N+](=O)[O-])c(C2(N)CC2)c1
InChIInChI=1S/C10H12N2O2/c1-7-2-3-9(12(13)14)8(6-7)10(11)4-5-10/h2-3,6H,4-5,11H2,1H3
InChIKeyJZAAZROACFOZPW-UHFFFAOYSA-N
XLogP1.85
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.85
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

1-(5-fluoro-2-nitrophenyl)cyclopropan-1-amine
CID 130160401
1-(5-chloro-2-nitrophenyl)cyclopropan-1-amine
CID 130545850
1-(2-nitrophenyl)cyclopropan-1-amine
CID 55253196
1-[5-(5-methyl-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 65462850
3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-amine;1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene;1,1,4,4,6-pentamethyl-7-nitro-2,3-dihydronaphthalene
CID 158771702
1,4-dimethyl-2-nitrobenzene
CID 20849377
4-methyl-2-(4-methylphenyl)-1-nitrobenzene
CID 57163038
3-amino-3-(3-methyl-4-nitrophenyl)cyclobutan-1-ol
CID 125458751
1-(5-methyl-2-nitrophenoxy)cyclopentan-1-ol
CID 67786788
4-methyl-2-nitrophenolate
CID 6989903
sodium 4-methyl-2-nitrophenolate
CID 12989561
2-(1-aminocyclopentyl)-4-methylbenzaldehyde
CID 117291966

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-nitrophenyl)cyclopropan-1-amine?
The IUPAC name of 1-(5-methyl-2-nitrophenyl)cyclopropan-1-amine (CID 130545851) is 1-(5-methyl-2-nitrophenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(5-methyl-2-nitrophenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(5-methyl-2-nitrophenyl)cyclopropan-1-amine is Cc1ccc([N+](=O)[O-])c(C2(N)CC2)c1.
What is the InChIKey of 1-(5-methyl-2-nitrophenyl)cyclopropan-1-amine?
The InChIKey is JZAAZROACFOZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7-2-3-9(12(13)14)8(6-7)10(11)4-5-10/h2-3,6H,4-5,11H2,1H3.
What are the key properties of 1-(5-methyl-2-nitrophenyl)cyclopropan-1-amine?
1-(5-methyl-2-nitrophenyl)cyclopropan-1-amine has a molecular weight of 192.22 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-nitrophenyl)cyclopropan-1-amine is sourced from PubChem (CID 130545851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).