N-[[2-(cyclobutylmethoxy)-5-nitrophenyl]methyl]cyclopropanamine

C15H20N2O3 — CID 65458475

IUPACN-[[2-(cyclobutylmethoxy)-5-nitrophenyl]methyl]cyclopropanamine
SMILESO=[N+]([O-])c1ccc(OCC2CCC2)c(CNC2CC2)c1
InChIInChI=1S/C15H20N2O3/c18-17(19)14-6-7-15(20-10-11-2-1-3-11)12(8-14)9-16-13-4-5-13/h6-8,11,13,16H,1-5,9-10H2
InChIKeyBHRNHWCQVRRYHO-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.03
Rot. Bonds7

About N-[[2-(cyclobutylmethoxy)-5-nitrophenyl]methyl]cyclopropanamine

N-[[2-(cyclobutylmethoxy)-5-nitrophenyl]methyl]cyclopropanamine (PubChem CID 65458475) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[[2-(cyclobutylmethoxy)-5-nitrophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(cyclobutylmethoxy)-5-nitrophenyl]methyl]cyclopropanamine
PubChem CID65458475
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[[2-(cyclobutylmethoxy)-5-nitrophenyl]methyl]cyclopropanamine
SMILESO=[N+]([O-])c1ccc(OCC2CCC2)c(CNC2CC2)c1
InChIInChI=1S/C15H20N2O3/c18-17(19)14-6-7-15(20-10-11-2-1-3-11)12(8-14)9-16-13-4-5-13/h6-8,11,13,16H,1-5,9-10H2
InChIKeyBHRNHWCQVRRYHO-UHFFFAOYSA-N
XLogP3.03
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[5-nitro-2-(oxolan-3-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 61313625
[2-(cyclobutylmethoxy)-5-nitrophenyl]methanol
CID 65458309
N-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine
CID 43082634
2-(chloromethyl)-1-(cyclohexylmethoxy)-4-nitrobenzene
CID 43472996
N-[(2-butoxy-5-nitrophenyl)methyl]cyclopropanamine
CID 43472781
1,2-bis(cyclobutylmethoxy)-4-nitrobenzene
CID 125465351
N-[(2-chloro-5-nitrophenyl)methyl]cyclobutanamine
CID 62415324
N-[[2-(3-methylbut-2-enoxy)-5-nitrophenyl]methyl]cyclopropanamine
CID 60887674
N-[[5-nitro-2-(thiophen-3-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 60888644
N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine
CID 55204741
2-(cyclohexylmethoxy)-5-nitroaniline
CID 62508639
N-[(2-methoxy-5-nitrophenyl)methyl]-1,1-dioxothian-4-amine
CID 43615162

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclobutylmethoxy)-5-nitrophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(cyclobutylmethoxy)-5-nitrophenyl]methyl]cyclopropanamine (CID 65458475) is N-[[2-(cyclobutylmethoxy)-5-nitrophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(cyclobutylmethoxy)-5-nitrophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(cyclobutylmethoxy)-5-nitrophenyl]methyl]cyclopropanamine is O=[N+]([O-])c1ccc(OCC2CCC2)c(CNC2CC2)c1.
What is the InChIKey of N-[[2-(cyclobutylmethoxy)-5-nitrophenyl]methyl]cyclopropanamine?
The InChIKey is BHRNHWCQVRRYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-17(19)14-6-7-15(20-10-11-2-1-3-11)12(8-14)9-16-13-4-5-13/h6-8,11,13,16H,1-5,9-10H2.
What are the key properties of N-[[2-(cyclobutylmethoxy)-5-nitrophenyl]methyl]cyclopropanamine?
N-[[2-(cyclobutylmethoxy)-5-nitrophenyl]methyl]cyclopropanamine has a molecular weight of 276.34 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclobutylmethoxy)-5-nitrophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 65458475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).