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

C14H19ClN2O2 — CID 78998881

IUPACN-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopentylethanamine
SMILESO=[N+]([O-])c1ccc(Cl)cc1CNCCC1CCCC1
InChIInChI=1S/C14H19ClN2O2/c15-13-5-6-14(17(18)19)12(9-13)10-16-8-7-11-3-1-2-4-11/h5-6,9,11,16H,1-4,7-8,10H2
InChIKeyUBPXGLDNFQGNOG-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.92
Rot. Bonds6

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

N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopentylethanamine (PubChem CID 78998881) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopentylethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopentylethanamine
PubChem CID78998881
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopentylethanamine
SMILESO=[N+]([O-])c1ccc(Cl)cc1CNCCC1CCCC1
InChIInChI=1S/C14H19ClN2O2/c15-13-5-6-14(17(18)19)12(9-13)10-16-8-7-11-3-1-2-4-11/h5-6,9,11,16H,1-4,7-8,10H2
InChIKeyUBPXGLDNFQGNOG-UHFFFAOYSA-N
XLogP3.92
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-N-[(5-methyl-2-nitrophenyl)methyl]ethanamine
CID 142706093
N-[(5-chloro-2-nitrophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 78998746
N-[(4-bromo-2-nitrophenyl)methyl]-2-cyclopentylethanamine
CID 114381112
N-[(2-chloro-5-nitrophenyl)methyl]-2-cyclohexylethanamine
CID 63448659
N-[(5-chloro-2-nitrophenyl)methyl]-2-(4-chlorophenyl)ethanamine
CID 78998989
N-[(5-chloro-2-nitrophenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 79039573
N-[(5-chloro-2-nitrophenyl)methyl]-3-propoxypropan-1-amine
CID 82944004
5-chloro-N-(3-cyclopentylpropyl)-2-nitroaniline
CID 106012727
N-[(5-chloro-2-nitrophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 78998749
N-[(5-chloro-2-nitrophenyl)methyl]hexan-1-amine
CID 78998811
N-[(2-chloro-6-nitrophenyl)methyl]-2-cyclohexylethanamine
CID 63745632
N-[(5-chloro-2-nitrophenyl)methyl]-2-(cyclohexen-1-yl)ethanamine
CID 78998810

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopentylethanamine?
The IUPAC name of N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopentylethanamine (CID 78998881) is N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopentylethanamine.
What is the SMILES notation for N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopentylethanamine?
The canonical SMILES for N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopentylethanamine is O=[N+]([O-])c1ccc(Cl)cc1CNCCC1CCCC1.
What is the InChIKey of N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopentylethanamine?
The InChIKey is UBPXGLDNFQGNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-13-5-6-14(17(18)19)12(9-13)10-16-8-7-11-3-1-2-4-11/h5-6,9,11,16H,1-4,7-8,10H2.
What are the key properties of N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopentylethanamine?
N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopentylethanamine has a molecular weight of 282.77 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopentylethanamine is sourced from PubChem (CID 78998881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).