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

C15H16N2O4 — CID 102702889

IUPAC1-[2-(5-methoxy-2-nitrophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Oc1cc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H16N2O4/c1-16-10-11-5-3-4-6-14(11)21-15-9-12(20-2)7-8-13(15)17(18)19/h3-9,16H,10H2,1-2H3
InChIKeyYDDACVAMUASATR-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.12
Rot. Bonds6

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

1-[2-(5-methoxy-2-nitrophenoxy)phenyl]-N-methylmethanamine (PubChem CID 102702889) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-[2-(5-methoxy-2-nitrophenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5-methoxy-2-nitrophenoxy)phenyl]-N-methylmethanamine
PubChem CID102702889
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-[2-(5-methoxy-2-nitrophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Oc1cc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H16N2O4/c1-16-10-11-5-3-4-6-14(11)21-15-9-12(20-2)7-8-13(15)17(18)19/h3-9,16H,10H2,1-2H3
InChIKeyYDDACVAMUASATR-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

1-[2-(5-bromo-2-nitrophenoxy)phenyl]-N-methylmethanamine
CID 106485401
1-[2-[(6-methoxy-3-nitro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106485526
N-methyl-1-[2-(4-nitrophenoxy)phenyl]methanamine
CID 54915610
2-[4-chloro-2-(chloromethyl)phenoxy]-4-methoxy-1-nitrobenzene
CID 102702832
6-[2-(methylaminomethyl)phenoxy]-3-nitropyridin-2-amine
CID 106485412
3-(5-methoxy-2-nitrophenoxy)pyridine-2-carbonitrile
CID 102702690
5-(5-methoxy-2-nitrophenoxy)-N-methylpyridin-3-amine
CID 102703875
1-[2-(2-ethylphenoxy)phenyl]-N-methylmethanamine
CID 43283795
1-[4-chloro-2-(4-nitro-3-phenylmethoxyphenoxy)phenyl]-N-methylmethanamine
CID 69465636
1-[4-chloro-2-(5-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine
CID 114856629
[4-bromo-2-(5-methoxy-2-nitrophenoxy)phenyl]methanamine
CID 102702893
2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene
CID 18406541

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methoxy-2-nitrophenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5-methoxy-2-nitrophenoxy)phenyl]-N-methylmethanamine (CID 102702889) is 1-[2-(5-methoxy-2-nitrophenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5-methoxy-2-nitrophenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5-methoxy-2-nitrophenoxy)phenyl]-N-methylmethanamine is CNCc1ccccc1Oc1cc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of 1-[2-(5-methoxy-2-nitrophenoxy)phenyl]-N-methylmethanamine?
The InChIKey is YDDACVAMUASATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-16-10-11-5-3-4-6-14(11)21-15-9-12(20-2)7-8-13(15)17(18)19/h3-9,16H,10H2,1-2H3.
What are the key properties of 1-[2-(5-methoxy-2-nitrophenoxy)phenyl]-N-methylmethanamine?
1-[2-(5-methoxy-2-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-[2-(5-methoxy-2-nitrophenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 102702889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).