3-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pentan-3-amine

C15H24N2O3 — CID 65039851

IUPAC3-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pentan-3-amine
SMILESCCC(CC)(CC)NCc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C15H24N2O3/c1-5-15(6-2,7-3)16-11-12-8-9-14(20-4)13(10-12)17(18)19/h8-10,16H,5-7,11H2,1-4H3
InChIKeyOQIYBWZNMGLNAL-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.66
Rot. Bonds8

About 3-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pentan-3-amine

3-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pentan-3-amine (PubChem CID 65039851) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pentan-3-amine
PubChem CID65039851
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pentan-3-amine
SMILESCCC(CC)(CC)NCc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C15H24N2O3/c1-5-15(6-2,7-3)16-11-12-8-9-14(20-4)13(10-12)17(18)19/h8-10,16H,5-7,11H2,1-4H3
InChIKeyOQIYBWZNMGLNAL-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
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

3-[(4-methoxy-3-nitrophenyl)methylamino]-3-methylbutan-1-ol
CID 111469020
2-cyclopropyl-N-[(4-methoxy-3-nitrophenyl)methyl]propan-2-amine
CID 103700101
N-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine
CID 29045280
2-[(4-methoxy-3-nitrophenyl)methylamino]-2-methylpentan-1-ol
CID 111432912
2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine
CID 83013842
4-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]aniline
CID 29053395
tert-butyl N-[(4-methoxy-3-nitrophenyl)methyl]carbamate
CID 22981317
2-[(4-methoxy-3-nitrophenyl)methylamino]propan-1-ol
CID 43499927
2-chloro-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide
CID 17385923
N-[3-(bromomethyl)pentan-3-yl]-4-methoxy-3-nitrobenzamide
CID 114315382
2-[(4-methoxy-3-nitrophenyl)methyl]-2-methylbutanoic acid
CID 62740100
2-[(4-methoxy-3-nitrophenyl)methylamino]-3-methylbutan-1-ol
CID 79249779

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pentan-3-amine?
The IUPAC name of 3-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pentan-3-amine (CID 65039851) is 3-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pentan-3-amine.
What is the SMILES notation for 3-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pentan-3-amine?
The canonical SMILES for 3-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pentan-3-amine is CCC(CC)(CC)NCc1ccc(OC)c([N+](=O)[O-])c1.
What is the InChIKey of 3-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pentan-3-amine?
The InChIKey is OQIYBWZNMGLNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-15(6-2,7-3)16-11-12-8-9-14(20-4)13(10-12)17(18)19/h8-10,16H,5-7,11H2,1-4H3.
What are the key properties of 3-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pentan-3-amine?
3-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pentan-3-amine has a molecular weight of 280.37 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pentan-3-amine is sourced from PubChem (CID 65039851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).