N-[1-(4-nitrophenyl)ethyl]cyclopropanamine

C11H14N2O2 — CID 43297230

IUPACN-[1-(4-nitrophenyl)ethyl]cyclopropanamine
SMILESCC(NC1CC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H14N2O2/c1-8(12-10-4-5-10)9-2-6-11(7-3-9)13(14)15/h2-3,6-8,10,12H,4-5H2,1H3
InChIKeySAQAFMNVVVEYOV-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.41
Rot. Bonds4

About N-[1-(4-nitrophenyl)ethyl]cyclopropanamine

N-[1-(4-nitrophenyl)ethyl]cyclopropanamine (PubChem CID 43297230) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is N-[1-(4-nitrophenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(4-nitrophenyl)ethyl]cyclopropanamine
PubChem CID43297230
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC NameN-[1-(4-nitrophenyl)ethyl]cyclopropanamine
SMILESCC(NC1CC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H14N2O2/c1-8(12-10-4-5-10)9-2-6-11(7-3-9)13(14)15/h2-3,6-8,10,12H,4-5H2,1H3
InChIKeySAQAFMNVVVEYOV-UHFFFAOYSA-N
XLogP2.41
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.41
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

3,3-dimethyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1,5-dioxecan-8-amine
CID 154525928
3-ethylsulfanyl-N-[1-(4-nitrophenyl)ethyl]cyclopentan-1-amine
CID 103734615
(4S)-1-cyclopropyl-4-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pyrrolidin-2-one
CID 97102213
1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine
CID 62405360
2-(cyclopropylamino)-2-(4-nitrophenyl)acetic acid
CID 84747103
N-[1-(4-methylphenyl)ethyl]cyclopropanamine
CID 16771025
1-(4-nitrophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107295342
3-[[1-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 103271362
N-[(1R)-1-(4-bromophenyl)ethyl]cyclopropanamine
CID 30110346
N-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine
CID 43297246
(3R)-6-bromo-N-[(1R)-1-(4-nitrophenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 54353659
3-N-[(1S)-1-(4-nitrophenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3,6-diamine
CID 67618667

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-nitrophenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[1-(4-nitrophenyl)ethyl]cyclopropanamine (CID 43297230) is N-[1-(4-nitrophenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-(4-nitrophenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[1-(4-nitrophenyl)ethyl]cyclopropanamine is CC(NC1CC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[1-(4-nitrophenyl)ethyl]cyclopropanamine?
The InChIKey is SAQAFMNVVVEYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8(12-10-4-5-10)9-2-6-11(7-3-9)13(14)15/h2-3,6-8,10,12H,4-5H2,1H3.
What are the key properties of N-[1-(4-nitrophenyl)ethyl]cyclopropanamine?
N-[1-(4-nitrophenyl)ethyl]cyclopropanamine has a molecular weight of 206.25 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-nitrophenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 43297230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).