3-(2-methoxyethoxy)-N-[(4-methyl-3-nitrophenyl)methyl]propan-1-amine

C14H22N2O4 — CID 43225542

IUPAC3-(2-methoxyethoxy)-N-[(4-methyl-3-nitrophenyl)methyl]propan-1-amine
SMILESCOCCOCCCNCc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C14H22N2O4/c1-12-4-5-13(10-14(12)16(17)18)11-15-6-3-7-20-9-8-19-2/h4-5,10,15H,3,6-9,11H2,1-2H3
InChIKeyLDIDWNBYNGCOKR-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.05
Rot. Bonds10

About 3-(2-methoxyethoxy)-N-[(4-methyl-3-nitrophenyl)methyl]propan-1-amine

3-(2-methoxyethoxy)-N-[(4-methyl-3-nitrophenyl)methyl]propan-1-amine (PubChem CID 43225542) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-[(4-methyl-3-nitrophenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-[(4-methyl-3-nitrophenyl)methyl]propan-1-amine
PubChem CID43225542
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3-(2-methoxyethoxy)-N-[(4-methyl-3-nitrophenyl)methyl]propan-1-amine
SMILESCOCCOCCCNCc1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C14H22N2O4/c1-12-4-5-13(10-14(12)16(17)18)11-15-6-3-7-20-9-8-19-2/h4-5,10,15H,3,6-9,11H2,1-2H3
InChIKeyLDIDWNBYNGCOKR-UHFFFAOYSA-N
XLogP2.05
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(2-methoxyethoxy)-N-[(4-methyl-3-nitrophenyl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methoxyethoxy)-N-[(4-methyl-3-nitrophenyl)methyl]butan-1-amine
CID 115600167
N'-[(4-methyl-3-nitrophenyl)methyl]butane-1,4-diamine
CID 60895806
5-[(4-methyl-3-nitrophenyl)methylamino]pentan-1-ol
CID 107303000
N-[(4-methoxy-3-nitrophenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 103650115
2-[(4-methyl-3-nitrophenyl)methylamino]acetic acid
CID 43774185
2-methyl-5-[(4-methyl-3-nitrophenyl)methylamino]pentan-1-ol
CID 103859629
N-[(4-chloro-3-nitrophenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 103603591
N-[(4-bromo-2-nitrophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 114381520
3,3,3-trifluoro-N-[(4-methyl-3-nitrophenyl)methyl]propan-1-amine
CID 63226216
1-(4-methyl-3-nitrophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720069
N-[[4-(4-methoxybutoxy)-3-nitrophenyl]methyl]propan-1-amine
CID 104646887
[4-[[3-(2-methoxyethoxy)propylamino]methyl]phenyl]methanol
CID 107230997

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-[(4-methyl-3-nitrophenyl)methyl]propan-1-amine?
The IUPAC name of 3-(2-methoxyethoxy)-N-[(4-methyl-3-nitrophenyl)methyl]propan-1-amine (CID 43225542) is 3-(2-methoxyethoxy)-N-[(4-methyl-3-nitrophenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-[(4-methyl-3-nitrophenyl)methyl]propan-1-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-N-[(4-methyl-3-nitrophenyl)methyl]propan-1-amine is COCCOCCCNCc1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-[(4-methyl-3-nitrophenyl)methyl]propan-1-amine?
The InChIKey is LDIDWNBYNGCOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-12-4-5-13(10-14(12)16(17)18)11-15-6-3-7-20-9-8-19-2/h4-5,10,15H,3,6-9,11H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)-N-[(4-methyl-3-nitrophenyl)methyl]propan-1-amine?
3-(2-methoxyethoxy)-N-[(4-methyl-3-nitrophenyl)methyl]propan-1-amine has a molecular weight of 282.34 g/mol, XLogP of 2.05, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-[(4-methyl-3-nitrophenyl)methyl]propan-1-amine is sourced from PubChem (CID 43225542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).