N-ethyl-1-(3-methoxy-5-nitrophenyl)-2-methylpentan-3-amine

C15H24N2O3 — CID 81154436

IUPACN-ethyl-1-(3-methoxy-5-nitrophenyl)-2-methylpentan-3-amine
SMILESCCNC(CC)C(C)Cc1cc(OC)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H24N2O3/c1-5-15(16-6-2)11(3)7-12-8-13(17(18)19)10-14(9-12)20-4/h8-11,15-16H,5-7H2,1-4H3
InChIKeyOGERYCOERATENB-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.17
Rot. Bonds8

About N-ethyl-1-(3-methoxy-5-nitrophenyl)-2-methylpentan-3-amine

N-ethyl-1-(3-methoxy-5-nitrophenyl)-2-methylpentan-3-amine (PubChem CID 81154436) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-ethyl-1-(3-methoxy-5-nitrophenyl)-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methoxy-5-nitrophenyl)-2-methylpentan-3-amine
PubChem CID81154436
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-ethyl-1-(3-methoxy-5-nitrophenyl)-2-methylpentan-3-amine
SMILESCCNC(CC)C(C)Cc1cc(OC)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H24N2O3/c1-5-15(16-6-2)11(3)7-12-8-13(17(18)19)10-14(9-12)20-4/h8-11,15-16H,5-7H2,1-4H3
InChIKeyOGERYCOERATENB-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
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

N-ethyl-1-[1-[(3-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethanamine
CID 106797815
N-ethyl-1-(4-methoxyphenyl)-2-methylpentan-3-amine
CID 79307375
1-methoxy-N-[(3-methoxy-5-nitrophenyl)methyl]butan-2-amine
CID 81154560
1-(3-methoxy-5-nitrophenyl)-4-methyl-N-propylpentan-3-amine
CID 81151807
3-[(3-methoxy-5-nitrophenyl)methyl]-4-methylpentan-2-one
CID 81155215
(2S)-2-amino-3-(3-methoxy-5-nitrophenyl)propanoic acid
CID 106702750
N-[(3-methoxy-5-nitrophenyl)methyl]octan-2-amine
CID 81145807
1-(3-chlorobutyl)-3-methoxy-5-nitrobenzene
CID 81166187
2-[(3-methoxy-5-nitrophenyl)methylamino]-N-methylpropanamide
CID 81150215
4-[(3-methoxy-5-nitrophenyl)methylamino]pentan-1-ol
CID 81154988
N-ethyl-3-[(3-fluoro-5-nitrophenyl)methyl]-4-methylpentan-2-amine
CID 115980844
(1S)-1-(furan-2-yl)-N-[(3-methoxy-5-nitrophenyl)methyl]ethanamine
CID 81401088

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methoxy-5-nitrophenyl)-2-methylpentan-3-amine?
The IUPAC name of N-ethyl-1-(3-methoxy-5-nitrophenyl)-2-methylpentan-3-amine (CID 81154436) is N-ethyl-1-(3-methoxy-5-nitrophenyl)-2-methylpentan-3-amine.
What is the SMILES notation for N-ethyl-1-(3-methoxy-5-nitrophenyl)-2-methylpentan-3-amine?
The canonical SMILES for N-ethyl-1-(3-methoxy-5-nitrophenyl)-2-methylpentan-3-amine is CCNC(CC)C(C)Cc1cc(OC)cc([N+](=O)[O-])c1.
What is the InChIKey of N-ethyl-1-(3-methoxy-5-nitrophenyl)-2-methylpentan-3-amine?
The InChIKey is OGERYCOERATENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-15(16-6-2)11(3)7-12-8-13(17(18)19)10-14(9-12)20-4/h8-11,15-16H,5-7H2,1-4H3.
What are the key properties of N-ethyl-1-(3-methoxy-5-nitrophenyl)-2-methylpentan-3-amine?
N-ethyl-1-(3-methoxy-5-nitrophenyl)-2-methylpentan-3-amine has a molecular weight of 280.37 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methoxy-5-nitrophenyl)-2-methylpentan-3-amine is sourced from PubChem (CID 81154436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).