N-[(2-nitrophenyl)methyl]-2-propylcyclopropan-1-amine

C13H18N2O2 — CID 103711632

IUPACN-[(2-nitrophenyl)methyl]-2-propylcyclopropan-1-amine
SMILESCCCC1CC1NCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O2/c1-2-5-10-8-12(10)14-9-11-6-3-4-7-13(11)15(16)17/h3-4,6-7,10,12,14H,2,5,8-9H2,1H3
InChIKeyWLUAGRKDPFHSGM-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.87
Rot. Bonds6

About N-[(2-nitrophenyl)methyl]-2-propylcyclopropan-1-amine

N-[(2-nitrophenyl)methyl]-2-propylcyclopropan-1-amine (PubChem CID 103711632) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(2-nitrophenyl)methyl]-2-propylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(2-nitrophenyl)methyl]-2-propylcyclopropan-1-amine
PubChem CID103711632
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(2-nitrophenyl)methyl]-2-propylcyclopropan-1-amine
SMILESCCCC1CC1NCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O2/c1-2-5-10-8-12(10)14-9-11-6-3-4-7-13(11)15(16)17/h3-4,6-7,10,12,14H,2,5,8-9H2,1H3
InChIKeyWLUAGRKDPFHSGM-UHFFFAOYSA-N
XLogP2.87
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.87
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

N-[(2-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711434
3-ethylsulfanyl-N-[(2-nitrophenyl)methyl]cyclopentan-1-amine
CID 103926221
N-[(2-nitrophenyl)methyl]adamantan-2-amine
CID 792005
N-[(5-nitrothiophen-3-yl)methyl]-2-propylcyclopropan-1-amine
CID 103711476
2-propyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopropan-1-amine
CID 103711490
3-methyl-N-[(2-nitrophenyl)methyl]cyclohexan-1-amine
CID 43317674
N-[(2-nitrophenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730633
2-[2-(2-nitrophenyl)ethyl]-N-propylcyclopentan-1-amine
CID 63061787
1-methyl-N-[(2-nitrophenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 119040628
3-nitro-2-[(2-propylcyclopropyl)amino]benzoic acid
CID 114111177
3-methylsulfanyl-N-[(2-nitrophenyl)methyl]cyclopentan-1-amine
CID 103926173
[(1S,2S)-2-[(2-nitrophenyl)methylamino]cyclohexyl]carbamic acid
CID 90272738

Frequently Asked Questions

What is the IUPAC name of N-[(2-nitrophenyl)methyl]-2-propylcyclopropan-1-amine?
The IUPAC name of N-[(2-nitrophenyl)methyl]-2-propylcyclopropan-1-amine (CID 103711632) is N-[(2-nitrophenyl)methyl]-2-propylcyclopropan-1-amine.
What is the SMILES notation for N-[(2-nitrophenyl)methyl]-2-propylcyclopropan-1-amine?
The canonical SMILES for N-[(2-nitrophenyl)methyl]-2-propylcyclopropan-1-amine is CCCC1CC1NCc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(2-nitrophenyl)methyl]-2-propylcyclopropan-1-amine?
The InChIKey is WLUAGRKDPFHSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-5-10-8-12(10)14-9-11-6-3-4-7-13(11)15(16)17/h3-4,6-7,10,12,14H,2,5,8-9H2,1H3.
What are the key properties of N-[(2-nitrophenyl)methyl]-2-propylcyclopropan-1-amine?
N-[(2-nitrophenyl)methyl]-2-propylcyclopropan-1-amine has a molecular weight of 234.30 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-nitrophenyl)methyl]-2-propylcyclopropan-1-amine is sourced from PubChem (CID 103711632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).