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

C14H19ClN2O2 — CID 43541101

IUPACN-[(2-chloro-5-nitrophenyl)methyl]-N-ethylcyclopentanamine
SMILESCCN(Cc1cc([N+](=O)[O-])ccc1Cl)C1CCCC1
InChIInChI=1S/C14H19ClN2O2/c1-2-16(12-5-3-4-6-12)10-11-9-13(17(18)19)7-8-14(11)15/h7-9,12H,2-6,10H2,1H3
InChIKeyHCIGEXQBIFVVHE-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.01
Rot. Bonds5

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

N-[(2-chloro-5-nitrophenyl)methyl]-N-ethylcyclopentanamine (PubChem CID 43541101) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[(2-chloro-5-nitrophenyl)methyl]-N-ethylcyclopentanamine.

Molecular Properties

Compound NameN-[(2-chloro-5-nitrophenyl)methyl]-N-ethylcyclopentanamine
PubChem CID43541101
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-[(2-chloro-5-nitrophenyl)methyl]-N-ethylcyclopentanamine
SMILESCCN(Cc1cc([N+](=O)[O-])ccc1Cl)C1CCCC1
InChIInChI=1S/C14H19ClN2O2/c1-2-16(12-5-3-4-6-12)10-11-9-13(17(18)19)7-8-14(11)15/h7-9,12H,2-6,10H2,1H3
InChIKeyHCIGEXQBIFVVHE-UHFFFAOYSA-N
XLogP4.01
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.01
H-Bond Donors ≤ 50
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-chloro-5-nitrophenyl)methyl]-N,3-dimethylcyclohexan-1-amine
CID 61448511
2-[(2-chloro-5-nitrophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol
CID 111425170
2-chloro-N-cyclohexyl-N-ethyl-5-nitrobenzamide
CID 43081835
N-[(2-chloro-5-nitrophenyl)methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 61450943
N-[(2-chloro-5-nitrophenyl)methyl]cyclobutanamine
CID 62415324
1-chloro-2-(cyclopentylmethoxymethyl)-4-nitrobenzene
CID 66321968
N-[(2-chloro-5-nitrophenyl)methyl]-2,2-difluoro-N-methylethanamine
CID 115624782
N-[(2-chloro-5-nitrophenyl)methyl]-N,2-dimethylbutan-2-amine
CID 63983589
N-[(2-chloro-5-nitrophenyl)methyl]-N,2-diethylbutan-1-amine
CID 63479699
N-[(2-chloro-5-nitrophenyl)methyl]-N-ethyl-4-methylaniline
CID 63479547
2-(butoxymethyl)-1-chloro-4-nitrobenzene
CID 43267660
3-[(2-chloro-5-nitrophenyl)methyl-ethylamino]propan-1-ol
CID 115666095

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-nitrophenyl)methyl]-N-ethylcyclopentanamine?
The IUPAC name of N-[(2-chloro-5-nitrophenyl)methyl]-N-ethylcyclopentanamine (CID 43541101) is N-[(2-chloro-5-nitrophenyl)methyl]-N-ethylcyclopentanamine.
What is the SMILES notation for N-[(2-chloro-5-nitrophenyl)methyl]-N-ethylcyclopentanamine?
The canonical SMILES for N-[(2-chloro-5-nitrophenyl)methyl]-N-ethylcyclopentanamine is CCN(Cc1cc([N+](=O)[O-])ccc1Cl)C1CCCC1.
What is the InChIKey of N-[(2-chloro-5-nitrophenyl)methyl]-N-ethylcyclopentanamine?
The InChIKey is HCIGEXQBIFVVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-16(12-5-3-4-6-12)10-11-9-13(17(18)19)7-8-14(11)15/h7-9,12H,2-6,10H2,1H3.
What are the key properties of N-[(2-chloro-5-nitrophenyl)methyl]-N-ethylcyclopentanamine?
N-[(2-chloro-5-nitrophenyl)methyl]-N-ethylcyclopentanamine has a molecular weight of 282.77 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-nitrophenyl)methyl]-N-ethylcyclopentanamine is sourced from PubChem (CID 43541101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).