N-[(2-chloro-5-nitrophenyl)methyl]cyclobutanamine

C11H13ClN2O2 — CID 62415324

IUPACN-[(2-chloro-5-nitrophenyl)methyl]cyclobutanamine
SMILESO=[N+]([O-])c1ccc(Cl)c(CNC2CCC2)c1
InChIInChI=1S/C11H13ClN2O2/c12-11-5-4-10(14(15)16)6-8(11)7-13-9-2-1-3-9/h4-6,9,13H,1-3,7H2
InChIKeyMWRKCGYLUPSDNW-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.89
Rot. Bonds4

About N-[(2-chloro-5-nitrophenyl)methyl]cyclobutanamine

N-[(2-chloro-5-nitrophenyl)methyl]cyclobutanamine (PubChem CID 62415324) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is N-[(2-chloro-5-nitrophenyl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(2-chloro-5-nitrophenyl)methyl]cyclobutanamine
PubChem CID62415324
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC NameN-[(2-chloro-5-nitrophenyl)methyl]cyclobutanamine
SMILESO=[N+]([O-])c1ccc(Cl)c(CNC2CCC2)c1
InChIInChI=1S/C11H13ClN2O2/c12-11-5-4-10(14(15)16)6-8(11)7-13-9-2-1-3-9/h4-6,9,13H,1-3,7H2
InChIKeyMWRKCGYLUPSDNW-UHFFFAOYSA-N
XLogP2.89
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.89
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-[(2-chloro-5-nitrophenyl)methylamino]cyclohexane-1-carboxamide
CID 43748824
N-[(2-chloro-5-nitrophenyl)methyl]-1-ethylpiperidin-3-amine
CID 61170567
N-[(2-chloro-5-nitrophenyl)methyl]-2-methoxycyclopentan-1-amine
CID 62086414
N-[(2,4-dinitrophenyl)methyl]cyclohexanamine
CID 66223052
N-[(2-methoxy-5-nitrophenyl)methyl]cyclopentanamine
CID 43082634
(1R)-N-[(2-chloro-5-nitrophenyl)methyl]-1-cyclohexylethanamine
CID 81384193
N-[[2-(cyclobutylmethoxy)-5-nitrophenyl]methyl]cyclopropanamine
CID 65458475
N-[(2-chloro-5-nitrophenyl)methyl]-3-ethoxycyclobutan-1-amine
CID 103917801
N-[(2-chloro-4-nitrophenyl)methyl]-1-oxothian-4-amine
CID 104665786
N-[(2-chloro-5-nitrophenyl)methyl]-2-cyclohexylethanamine
CID 63448659
N-[(2-chloro-5-nitrophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994852
N-[(2-chloro-5-nitrophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43462323

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-nitrophenyl)methyl]cyclobutanamine?
The IUPAC name of N-[(2-chloro-5-nitrophenyl)methyl]cyclobutanamine (CID 62415324) is N-[(2-chloro-5-nitrophenyl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(2-chloro-5-nitrophenyl)methyl]cyclobutanamine?
The canonical SMILES for N-[(2-chloro-5-nitrophenyl)methyl]cyclobutanamine is O=[N+]([O-])c1ccc(Cl)c(CNC2CCC2)c1.
What is the InChIKey of N-[(2-chloro-5-nitrophenyl)methyl]cyclobutanamine?
The InChIKey is MWRKCGYLUPSDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-11-5-4-10(14(15)16)6-8(11)7-13-9-2-1-3-9/h4-6,9,13H,1-3,7H2.
What are the key properties of N-[(2-chloro-5-nitrophenyl)methyl]cyclobutanamine?
N-[(2-chloro-5-nitrophenyl)methyl]cyclobutanamine has a molecular weight of 240.69 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-nitrophenyl)methyl]cyclobutanamine is sourced from PubChem (CID 62415324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).