4-methoxy-4-methyl-N-[2-(4-nitrophenyl)ethyl]pentan-2-amine

C15H24N2O3 — CID 61220619

IUPAC4-methoxy-4-methyl-N-[2-(4-nitrophenyl)ethyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H24N2O3/c1-12(11-15(2,3)20-4)16-10-9-13-5-7-14(8-6-13)17(18)19/h5-8,12,16H,9-11H2,1-4H3
InChIKeyKQOVFKOBFCHSQC-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.93
Rot. Bonds8

About 4-methoxy-4-methyl-N-[2-(4-nitrophenyl)ethyl]pentan-2-amine

4-methoxy-4-methyl-N-[2-(4-nitrophenyl)ethyl]pentan-2-amine (PubChem CID 61220619) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-[2-(4-nitrophenyl)ethyl]pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-[2-(4-nitrophenyl)ethyl]pentan-2-amine
PubChem CID61220619
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-methoxy-4-methyl-N-[2-(4-nitrophenyl)ethyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H24N2O3/c1-12(11-15(2,3)20-4)16-10-9-13-5-7-14(8-6-13)17(18)19/h5-8,12,16H,9-11H2,1-4H3
InChIKeyKQOVFKOBFCHSQC-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
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

1-methoxy-2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-2-amine
CID 115627630
methyl 2-[2-(4-nitrophenyl)ethylamino]butanoate
CID 115353228
1-(5-bromofuran-2-yl)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 104652865
N-[2-(4-nitrophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540548
4-(furan-2-yl)-N-[2-(4-nitrophenyl)ethyl]butan-2-amine
CID 61221200
2-methyl-N-[2-(4-nitrophenyl)ethyl]butan-1-amine
CID 61219672
4,4,4-trifluoro-N-[(4-nitrophenyl)methyl]butan-2-amine
CID 103901295
(1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 81347642
3,3-dimethyl-N-[2-(4-nitrophenyl)ethyl]butan-1-amine
CID 61221202
N-[2-(4-nitrophenyl)ethyl]-1-thiophen-2-ylethanamine
CID 43534507
3-methyl-N-[2-(4-nitrophenyl)ethyl]-2-propan-2-ylbutan-1-amine
CID 102905303
propan-2-yl N-[2-(4-nitrophenyl)ethyl]carbamate
CID 139655382

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-[2-(4-nitrophenyl)ethyl]pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-[2-(4-nitrophenyl)ethyl]pentan-2-amine (CID 61220619) is 4-methoxy-4-methyl-N-[2-(4-nitrophenyl)ethyl]pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-[2-(4-nitrophenyl)ethyl]pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-[2-(4-nitrophenyl)ethyl]pentan-2-amine is COC(C)(C)CC(C)NCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-methoxy-4-methyl-N-[2-(4-nitrophenyl)ethyl]pentan-2-amine?
The InChIKey is KQOVFKOBFCHSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-12(11-15(2,3)20-4)16-10-9-13-5-7-14(8-6-13)17(18)19/h5-8,12,16H,9-11H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-N-[2-(4-nitrophenyl)ethyl]pentan-2-amine?
4-methoxy-4-methyl-N-[2-(4-nitrophenyl)ethyl]pentan-2-amine has a molecular weight of 280.37 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-[2-(4-nitrophenyl)ethyl]pentan-2-amine is sourced from PubChem (CID 61220619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).