1-[4-(2-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine

C15H16N2O4 — CID 61032053

IUPAC1-[4-(2-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C15H16N2O4/c1-16-10-11-3-6-13(7-4-11)21-15-9-12(17(18)19)5-8-14(15)20-2/h3-9,16H,10H2,1-2H3
InChIKeyDXLCAIMPGUKNLD-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.12
Rot. Bonds6

About 1-[4-(2-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine

1-[4-(2-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine (PubChem CID 61032053) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-[4-(2-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine
PubChem CID61032053
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-[4-(2-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C15H16N2O4/c1-16-10-11-3-6-13(7-4-11)21-15-9-12(17(18)19)5-8-14(15)20-2/h3-9,16H,10H2,1-2H3
InChIKeyDXLCAIMPGUKNLD-UHFFFAOYSA-N
XLogP3.12
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

[4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine
CID 62110461
1-[3-chloro-4-(4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 81155419
1,4-dimethoxy-2-(4-nitrophenoxy)benzene
CID 58929090
N-methyl-1-[4-methyl-3-(4-nitrophenoxy)phenyl]methanamine
CID 105407116
N-[[4-(2-methyl-5-nitrophenoxy)phenyl]methyl]ethanamine
CID 61031171
1-[5-fluoro-2-(4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 61032416
1-[3-chloro-4-(2-chloro-4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 81151385
4-(2-methoxy-5-nitrophenoxy)-2-methylbenzonitrile
CID 81273441
N-[4-methoxy-3-(4-nitrophenoxy)phenyl]acetamide
CID 58929108
1-[4-(5-bromo-2-nitrophenoxy)phenyl]-N-methylmethanamine
CID 106486767
2-chloro-1-[4-[(2-methoxyphenoxy)methyl]phenoxy]-4-nitrobenzene
CID 1313653
2-(2-methoxy-4-nitrophenoxy)-N-methylpropan-1-amine
CID 106840021

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine (CID 61032053) is 1-[4-(2-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine is CNCc1ccc(Oc2cc([N+](=O)[O-])ccc2OC)cc1.
What is the InChIKey of 1-[4-(2-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine?
The InChIKey is DXLCAIMPGUKNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-16-10-11-3-6-13(7-4-11)21-15-9-12(17(18)19)5-8-14(15)20-2/h3-9,16H,10H2,1-2H3.
What are the key properties of 1-[4-(2-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine?
1-[4-(2-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine has a molecular weight of 288.30 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 61032053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).