2-[(5-chloro-2-nitrophenyl)methyl-cyclopentylamino]ethanol

C14H19ClN2O3 — CID 79580074

IUPAC2-[(5-chloro-2-nitrophenyl)methyl-cyclopentylamino]ethanol
SMILESO=[N+]([O-])c1ccc(Cl)cc1CN(CCO)C1CCCC1
InChIInChI=1S/C14H19ClN2O3/c15-12-5-6-14(17(19)20)11(9-12)10-16(7-8-18)13-3-1-2-4-13/h5-6,9,13,18H,1-4,7-8,10H2
InChIKeyAEYOJCJFWFHACI-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.99
Rot. Bonds6

About 2-[(5-chloro-2-nitrophenyl)methyl-cyclopentylamino]ethanol

2-[(5-chloro-2-nitrophenyl)methyl-cyclopentylamino]ethanol (PubChem CID 79580074) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[(5-chloro-2-nitrophenyl)methyl-cyclopentylamino]ethanol.

Molecular Properties

Compound Name2-[(5-chloro-2-nitrophenyl)methyl-cyclopentylamino]ethanol
PubChem CID79580074
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name2-[(5-chloro-2-nitrophenyl)methyl-cyclopentylamino]ethanol
SMILESO=[N+]([O-])c1ccc(Cl)cc1CN(CCO)C1CCCC1
InChIInChI=1S/C14H19ClN2O3/c15-12-5-6-14(17(19)20)11(9-12)10-16(7-8-18)13-3-1-2-4-13/h5-6,9,13,18H,1-4,7-8,10H2
InChIKeyAEYOJCJFWFHACI-UHFFFAOYSA-N
XLogP2.99
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[(4-chloro-2-nitrophenyl)methyl-cyclobutylamino]ethanol
CID 102677159
3-[(5-chloro-2-nitrophenyl)methyl-cyclopropylamino]propanoic acid
CID 79580758
2-[(4-chloro-2-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 114858042
2-[cyclohexyl-[2-(2-nitrophenyl)ethyl]amino]ethanol
CID 63062306
N-[(5-chloro-2-nitrophenyl)methyl]-N-ethylpiperidin-4-amine
CID 79579986
2-[(2-bromo-4-nitrophenyl)methyl-cyclopentylamino]ethanol
CID 62013900
2-[(4-amino-3-nitrophenyl)methyl-cyclopentylamino]ethanol
CID 62208055
2-[(5-chloro-2-nitrophenyl)methyl-methylamino]cyclohexan-1-ol
CID 102636666
N-[(5-chloro-2-nitrophenyl)methyl]-N-ethylpiperidin-3-amine
CID 79580147
2-[(5-chloro-2-nitrophenyl)methyl-propylamino]ethanol
CID 79421462
2-[cyclobutyl-[[3-(methylamino)-4-nitrophenyl]methyl]amino]ethanol
CID 102870535
2-[cyclopropyl-[(2-methyl-3-nitrophenyl)methyl]amino]ethanol
CID 60774493

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-nitrophenyl)methyl-cyclopentylamino]ethanol?
The IUPAC name of 2-[(5-chloro-2-nitrophenyl)methyl-cyclopentylamino]ethanol (CID 79580074) is 2-[(5-chloro-2-nitrophenyl)methyl-cyclopentylamino]ethanol.
What is the SMILES notation for 2-[(5-chloro-2-nitrophenyl)methyl-cyclopentylamino]ethanol?
The canonical SMILES for 2-[(5-chloro-2-nitrophenyl)methyl-cyclopentylamino]ethanol is O=[N+]([O-])c1ccc(Cl)cc1CN(CCO)C1CCCC1.
What is the InChIKey of 2-[(5-chloro-2-nitrophenyl)methyl-cyclopentylamino]ethanol?
The InChIKey is AEYOJCJFWFHACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c15-12-5-6-14(17(19)20)11(9-12)10-16(7-8-18)13-3-1-2-4-13/h5-6,9,13,18H,1-4,7-8,10H2.
What are the key properties of 2-[(5-chloro-2-nitrophenyl)methyl-cyclopentylamino]ethanol?
2-[(5-chloro-2-nitrophenyl)methyl-cyclopentylamino]ethanol has a molecular weight of 298.77 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-nitrophenyl)methyl-cyclopentylamino]ethanol is sourced from PubChem (CID 79580074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).