2-(3-ethoxy-4-nitrophenyl)-N-ethylpentan-3-amine

C15H24N2O3 — CID 63675914

IUPAC2-(3-ethoxy-4-nitrophenyl)-N-ethylpentan-3-amine
SMILESCCNC(CC)C(C)c1ccc([N+](=O)[O-])c(OCC)c1
InChIInChI=1S/C15H24N2O3/c1-5-13(16-6-2)11(4)12-8-9-14(17(18)19)15(10-12)20-7-3/h8-11,13,16H,5-7H2,1-4H3
InChIKeyUTUOAGCGHPOQAX-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.49
Rot. Bonds8

About 2-(3-ethoxy-4-nitrophenyl)-N-ethylpentan-3-amine

2-(3-ethoxy-4-nitrophenyl)-N-ethylpentan-3-amine (PubChem CID 63675914) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(3-ethoxy-4-nitrophenyl)-N-ethylpentan-3-amine.

Molecular Properties

Compound Name2-(3-ethoxy-4-nitrophenyl)-N-ethylpentan-3-amine
PubChem CID63675914
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-(3-ethoxy-4-nitrophenyl)-N-ethylpentan-3-amine
SMILESCCNC(CC)C(C)c1ccc([N+](=O)[O-])c(OCC)c1
InChIInChI=1S/C15H24N2O3/c1-5-13(16-6-2)11(4)12-8-9-14(17(18)19)15(10-12)20-7-3/h8-11,13,16H,5-7H2,1-4H3
InChIKeyUTUOAGCGHPOQAX-UHFFFAOYSA-N
XLogP3.49
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.49
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

4-(3-chlorobutan-2-yl)-2-ethoxy-1-nitrobenzene
CID 63676715
3-(3-ethoxy-4-nitrophenyl)-N-ethyl-4-methylpentan-2-amine
CID 63675527
2-(3-ethoxy-4-nitrophenyl)pentan-3-amine
CID 63678381
N-ethyl-2-(2-nitrophenyl)pentan-3-amine
CID 55221329
2-(4-nitro-3-propoxyphenyl)pentan-3-ol
CID 55233757
N-ethyl-3-methyl-1-(4-nitro-3-propoxyphenyl)butan-2-amine
CID 63676494
(3-ethoxy-4-nitrophenyl)hydrazine
CID 63670732
3-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)-4-nitroaniline
CID 102913757
3-ethoxy-N-(3-methylbutyl)-4-nitroaniline
CID 63671590
3-ethoxy-4-nitro-N-pent-4-en-2-ylaniline
CID 115886049
N-(2-cyclopropylpropyl)-3-ethoxy-4-nitroaniline
CID 115677849
2-(4-chloro-5-fluoro-2-nitrophenyl)-N-ethylpentan-3-amine
CID 66079620

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-nitrophenyl)-N-ethylpentan-3-amine?
The IUPAC name of 2-(3-ethoxy-4-nitrophenyl)-N-ethylpentan-3-amine (CID 63675914) is 2-(3-ethoxy-4-nitrophenyl)-N-ethylpentan-3-amine.
What is the SMILES notation for 2-(3-ethoxy-4-nitrophenyl)-N-ethylpentan-3-amine?
The canonical SMILES for 2-(3-ethoxy-4-nitrophenyl)-N-ethylpentan-3-amine is CCNC(CC)C(C)c1ccc([N+](=O)[O-])c(OCC)c1.
What is the InChIKey of 2-(3-ethoxy-4-nitrophenyl)-N-ethylpentan-3-amine?
The InChIKey is UTUOAGCGHPOQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-13(16-6-2)11(4)12-8-9-14(17(18)19)15(10-12)20-7-3/h8-11,13,16H,5-7H2,1-4H3.
What are the key properties of 2-(3-ethoxy-4-nitrophenyl)-N-ethylpentan-3-amine?
2-(3-ethoxy-4-nitrophenyl)-N-ethylpentan-3-amine has a molecular weight of 280.37 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-nitrophenyl)-N-ethylpentan-3-amine is sourced from PubChem (CID 63675914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).