3-ethyl-1-[1-(4-nitrophenyl)ethylamino]pentan-2-ol

C15H24N2O3 — CID 103783080

IUPAC3-ethyl-1-[1-(4-nitrophenyl)ethylamino]pentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H24N2O3/c1-4-12(5-2)15(18)10-16-11(3)13-6-8-14(9-7-13)17(19)20/h6-9,11-12,15-16,18H,4-5,10H2,1-3H3
InChIKeyLHTQNGLCWIDTNV-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.04
Rot. Bonds8

About 3-ethyl-1-[1-(4-nitrophenyl)ethylamino]pentan-2-ol

3-ethyl-1-[1-(4-nitrophenyl)ethylamino]pentan-2-ol (PubChem CID 103783080) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-ethyl-1-[1-(4-nitrophenyl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[1-(4-nitrophenyl)ethylamino]pentan-2-ol
PubChem CID103783080
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-ethyl-1-[1-(4-nitrophenyl)ethylamino]pentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H24N2O3/c1-4-12(5-2)15(18)10-16-11(3)13-6-8-14(9-7-13)17(19)20/h6-9,11-12,15-16,18H,4-5,10H2,1-3H3
InChIKeyLHTQNGLCWIDTNV-UHFFFAOYSA-N
XLogP3.04
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
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-ethyl-N-[1-(4-nitrophenyl)ethyl]butan-1-amine
CID 115718046
(2S,4R)-4-methyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pentan-2-ol
CID 129378741
2-hydroxy-3-[1-(4-nitrophenyl)ethylamino]propanamide
CID 114153568
2-N,2-N,3-trimethyl-1-N-[1-(4-nitrophenyl)ethyl]butane-1,2-diamine
CID 43297383
1-(2-amino-4-nitroanilino)-3-ethylpentan-2-ol
CID 106284232
(1R)-1-(3-chlorophenyl)-2-[1-(4-nitrophenyl)ethylamino]ethanol
CID 175021813
N-[1-(4-nitrophenyl)ethyl]prop-2-yn-1-amine
CID 43297240
2-bromo-N-[1-(4-nitrophenyl)ethyl]prop-2-en-1-amine
CID 115717297
N-[1-(4-nitrophenyl)ethyl]octan-1-amine
CID 115566762
1-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 103716969
1-(4-nitrophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine
CID 103742159
N-[2-[1-(4-nitrophenyl)ethylamino]ethyl]acetamide
CID 43297387

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[1-(4-nitrophenyl)ethylamino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[1-(4-nitrophenyl)ethylamino]pentan-2-ol (CID 103783080) is 3-ethyl-1-[1-(4-nitrophenyl)ethylamino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[1-(4-nitrophenyl)ethylamino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[1-(4-nitrophenyl)ethylamino]pentan-2-ol is CCC(CC)C(O)CNC(C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-ethyl-1-[1-(4-nitrophenyl)ethylamino]pentan-2-ol?
The InChIKey is LHTQNGLCWIDTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-12(5-2)15(18)10-16-11(3)13-6-8-14(9-7-13)17(19)20/h6-9,11-12,15-16,18H,4-5,10H2,1-3H3.
What are the key properties of 3-ethyl-1-[1-(4-nitrophenyl)ethylamino]pentan-2-ol?
3-ethyl-1-[1-(4-nitrophenyl)ethylamino]pentan-2-ol has a molecular weight of 280.37 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[1-(4-nitrophenyl)ethylamino]pentan-2-ol is sourced from PubChem (CID 103783080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).