[1-(4-nitrophenyl)cyclopropyl]methanamine

C10H12N2O2 — CID 16641700

IUPAC[1-(4-nitrophenyl)cyclopropyl]methanamine
SMILESNCC1(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C10H12N2O2/c11-7-10(5-6-10)8-1-3-9(4-2-8)12(13)14/h1-4H,5-7,11H2
InChIKeyMKZDCGZJAOPNMT-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.59
Rot. Bonds3

About [1-(4-nitrophenyl)cyclopropyl]methanamine

[1-(4-nitrophenyl)cyclopropyl]methanamine (PubChem CID 16641700) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is [1-(4-nitrophenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(4-nitrophenyl)cyclopropyl]methanamine
PubChem CID16641700
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name[1-(4-nitrophenyl)cyclopropyl]methanamine
SMILESNCC1(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C10H12N2O2/c11-7-10(5-6-10)8-1-3-9(4-2-8)12(13)14/h1-4H,5-7,11H2
InChIKeyMKZDCGZJAOPNMT-UHFFFAOYSA-N
XLogP1.59
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.59
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

[4-(4-nitrophenyl)oxan-4-yl]methanamine
CID 16641709
1-[1-(iodomethyl)cyclobutyl]-4-nitrobenzene
CID 59362303
2-[1-(aminomethyl)cyclobutyl]-4-nitrophenol
CID 117317956
2-[1-(aminomethyl)cyclopentyl]-4-nitrophenol
CID 117344881
4-[1-(aminomethyl)cyclopropyl]benzonitrile
CID 117276943
[1-(2-fluoro-4-nitrophenyl)cyclobutyl]methanamine
CID 83412444
[1-(2-fluoro-4-nitrophenyl)cyclopentyl]methanamine
CID 83412144
[1-(2-nitrophenyl)cyclopropyl]methanamine
CID 55253012
[(2R)-2-(4-nitrophenyl)aziridin-2-yl]methanol
CID 142235254
2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamine
CID 28913887
1-[(1S)-2,2-dichloro-1-methylcyclopropyl]-4-nitrobenzene
CID 804648
3-fluoro-3-(4-nitrophenyl)oxolane
CID 164678965

Frequently Asked Questions

What is the IUPAC name of [1-(4-nitrophenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(4-nitrophenyl)cyclopropyl]methanamine (CID 16641700) is [1-(4-nitrophenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(4-nitrophenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(4-nitrophenyl)cyclopropyl]methanamine is NCC1(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of [1-(4-nitrophenyl)cyclopropyl]methanamine?
The InChIKey is MKZDCGZJAOPNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-7-10(5-6-10)8-1-3-9(4-2-8)12(13)14/h1-4H,5-7,11H2.
What are the key properties of [1-(4-nitrophenyl)cyclopropyl]methanamine?
[1-(4-nitrophenyl)cyclopropyl]methanamine has a molecular weight of 192.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-nitrophenyl)cyclopropyl]methanamine is sourced from PubChem (CID 16641700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).