3-[[2-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol

C14H20N2O3 — CID 106129887

IUPAC3-[[2-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol
SMILESO=[N+]([O-])c1ccc(CCNCC2CCC(O)C2)cc1
InChIInChI=1S/C14H20N2O3/c17-14-6-3-12(9-14)10-15-8-7-11-1-4-13(5-2-11)16(18)19/h1-2,4-5,12,14-15,17H,3,6-10H2
InChIKeyRUONPKQBIRBNBK-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.89
Rot. Bonds6

About 3-[[2-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol

3-[[2-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol (PubChem CID 106129887) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[[2-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[2-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol
PubChem CID106129887
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[[2-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol
SMILESO=[N+]([O-])c1ccc(CCNCC2CCC(O)C2)cc1
InChIInChI=1S/C14H20N2O3/c17-14-6-3-12(9-14)10-15-8-7-11-1-4-13(5-2-11)16(18)19/h1-2,4-5,12,14-15,17H,3,6-10H2
InChIKeyRUONPKQBIRBNBK-UHFFFAOYSA-N
XLogP1.89
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-[[1-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 103271362
3-[[(2,4-dinitrophenyl)methylamino]methyl]cyclopentan-1-ol
CID 107095590
5-[2-(4-nitrophenyl)ethylamino]pentan-1-ol
CID 62229014
N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
CID 43519927
2-[2-(4-nitrophenyl)ethylamino]cyclohexan-1-ol
CID 61220239
4-[2-(4-nitrophenyl)ethylamino]butanoic acid
CID 43520095
N-[2-(4-nitrophenyl)ethyl]cyclopentanamine
CID 43519882
2,2-dimethyl-3-[2-(4-nitrophenyl)ethylamino]cyclobutan-1-ol
CID 112633872
2-[2-(4-nitrophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103243126
4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106133202
2-ethyl-N-[2-(4-nitrophenyl)ethyl]butan-1-amine
CID 61220229
N-[2-(4-nitrophenyl)ethyl]formamide
CID 64992334

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[2-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol (CID 106129887) is 3-[[2-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[2-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[2-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol is O=[N+]([O-])c1ccc(CCNCC2CCC(O)C2)cc1.
What is the InChIKey of 3-[[2-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol?
The InChIKey is RUONPKQBIRBNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-14-6-3-12(9-14)10-15-8-7-11-1-4-13(5-2-11)16(18)19/h1-2,4-5,12,14-15,17H,3,6-10H2.
What are the key properties of 3-[[2-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol?
3-[[2-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol has a molecular weight of 264.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106129887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).