2-ethoxy-2-methyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine

C14H22N2O3 — CID 114940764

IUPAC2-ethoxy-2-methyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine
SMILESCCOC(C)(C)CNC(C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H22N2O3/c1-5-19-14(3,4)10-15-11(2)12-7-6-8-13(9-12)16(17)18/h6-9,11,15H,5,10H2,1-4H3
InChIKeyVPJFGYLIUBLUFJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.06
Rot. Bonds7

About 2-ethoxy-2-methyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine

2-ethoxy-2-methyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine (PubChem CID 114940764) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2-methyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine
PubChem CID114940764
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-ethoxy-2-methyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine
SMILESCCOC(C)(C)CNC(C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H22N2O3/c1-5-19-14(3,4)10-15-11(2)12-7-6-8-13(9-12)16(17)18/h6-9,11,15H,5,10H2,1-4H3
InChIKeyVPJFGYLIUBLUFJ-UHFFFAOYSA-N
XLogP3.06
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.06
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-[(1R)-1-(3-nitrophenyl)ethyl]propan-1-amine
CID 28608665
N-[(1S)-1-(3-nitrophenyl)ethyl]propan-1-amine
CID 28608661
2-[1-(3-nitrophenyl)ethylamino]ethanol
CID 43089007
N-(cyclopropylmethyl)-1-(3-nitrophenyl)ethanamine
CID 43200769
N-[1-(3-nitrophenyl)ethyl]butan-1-amine
CID 43180605
2,4,4-trimethyl-N-[1-(3-nitrophenyl)ethyl]pentan-2-amine
CID 43731079
1-(3-nitrophenyl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 115900293
N-[(4-ethylphenyl)methyl]-1-(3-nitrophenyl)ethanamine
CID 60943582
N-[1-(3-nitrophenyl)ethyl]pent-4-yn-1-amine
CID 113247041
N'-methyl-N-[1-(3-nitrophenyl)ethyl]-N'-propan-2-ylpropane-1,3-diamine
CID 103716757
N',N'-dimethyl-N-[1-(3-nitrophenyl)ethyl]propane-1,3-diamine
CID 43180684
2-N,2-N,3-trimethyl-1-N-[1-(3-nitrophenyl)ethyl]butane-1,2-diamine
CID 43205589

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine?
The IUPAC name of 2-ethoxy-2-methyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine (CID 114940764) is 2-ethoxy-2-methyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine.
What is the SMILES notation for 2-ethoxy-2-methyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine?
The canonical SMILES for 2-ethoxy-2-methyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine is CCOC(C)(C)CNC(C)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-ethoxy-2-methyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine?
The InChIKey is VPJFGYLIUBLUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-19-14(3,4)10-15-11(2)12-7-6-8-13(9-12)16(17)18/h6-9,11,15H,5,10H2,1-4H3.
What are the key properties of 2-ethoxy-2-methyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine?
2-ethoxy-2-methyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine has a molecular weight of 266.34 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 114940764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).