N-[(4-bromo-3-nitrophenyl)methyl]cyclopentanamine

C12H15BrN2O2 — CID 43222867

IUPACN-[(4-bromo-3-nitrophenyl)methyl]cyclopentanamine
SMILESO=[N+]([O-])c1cc(CNC2CCCC2)ccc1Br
InChIInChI=1S/C12H15BrN2O2/c13-11-6-5-9(7-12(11)15(16)17)8-14-10-3-1-2-4-10/h5-7,10,14H,1-4,8H2
InChIKeyMVKORPSCYFSCMN-UHFFFAOYSA-N
MW299.17 g/mol
LogP3.39
Rot. Bonds4

About N-[(4-bromo-3-nitrophenyl)methyl]cyclopentanamine

N-[(4-bromo-3-nitrophenyl)methyl]cyclopentanamine (PubChem CID 43222867) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-[(4-bromo-3-nitrophenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-nitrophenyl)methyl]cyclopentanamine
PubChem CID43222867
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-[(4-bromo-3-nitrophenyl)methyl]cyclopentanamine
SMILESO=[N+]([O-])c1cc(CNC2CCCC2)ccc1Br
InChIInChI=1S/C12H15BrN2O2/c13-11-6-5-9(7-12(11)15(16)17)8-14-10-3-1-2-4-10/h5-7,10,14H,1-4,8H2
InChIKeyMVKORPSCYFSCMN-UHFFFAOYSA-N
XLogP3.39
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 53.39
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-[(4-bromo-3-nitrophenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43434117
N-[(4-bromo-3-nitrophenyl)methyl]hydroxylamine
CID 82687440
4-bromo-N-cyclohexyl-3-nitroaniline
CID 79767525
N-[(4-bromo-3-nitrophenyl)methyl]-1-(oxan-4-yl)methanamine
CID 55210343
N-[(4-bromo-3-nitrophenyl)methyl]-1-(4-bromophenyl)methanamine
CID 60781321
3-[[(4-bromo-3-nitrophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699895
N-[(4-bromo-3-nitrophenyl)methyl]-3-methylbutan-2-amine
CID 43223292
N-[(4-bromo-3-nitrophenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295345
3-[(4-bromo-3-nitrophenyl)methylamino]-3-cyclopropylpropan-1-ol
CID 111457462
N-[[3-(cyclopropylmethoxy)-4-nitrophenyl]methyl]cyclopropanamine
CID 62114665
N-[[4-(2-chloroprop-2-enoxy)-3-nitrophenyl]methyl]cyclopropanamine
CID 60882380
N-[[4-(3-ethoxypropoxy)-3-nitrophenyl]methyl]cyclopropanamine
CID 65176724

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-nitrophenyl)methyl]cyclopentanamine?
The IUPAC name of N-[(4-bromo-3-nitrophenyl)methyl]cyclopentanamine (CID 43222867) is N-[(4-bromo-3-nitrophenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(4-bromo-3-nitrophenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(4-bromo-3-nitrophenyl)methyl]cyclopentanamine is O=[N+]([O-])c1cc(CNC2CCCC2)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-nitrophenyl)methyl]cyclopentanamine?
The InChIKey is MVKORPSCYFSCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-11-6-5-9(7-12(11)15(16)17)8-14-10-3-1-2-4-10/h5-7,10,14H,1-4,8H2.
What are the key properties of N-[(4-bromo-3-nitrophenyl)methyl]cyclopentanamine?
N-[(4-bromo-3-nitrophenyl)methyl]cyclopentanamine has a molecular weight of 299.17 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-nitrophenyl)methyl]cyclopentanamine is sourced from PubChem (CID 43222867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).