1-[3-(4-methoxy-3-nitrophenoxy)phenyl]-N-methylmethanamine

C15H16N2O4 — CID 103201891

IUPAC1-[3-(4-methoxy-3-nitrophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Oc2ccc(OC)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H16N2O4/c1-16-10-11-4-3-5-12(8-11)21-13-6-7-15(20-2)14(9-13)17(18)19/h3-9,16H,10H2,1-2H3
InChIKeyCFFOLACCPHRXBR-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.12
Rot. Bonds6

About 1-[3-(4-methoxy-3-nitrophenoxy)phenyl]-N-methylmethanamine

1-[3-(4-methoxy-3-nitrophenoxy)phenyl]-N-methylmethanamine (PubChem CID 103201891) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-[3-(4-methoxy-3-nitrophenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4-methoxy-3-nitrophenoxy)phenyl]-N-methylmethanamine
PubChem CID103201891
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-[3-(4-methoxy-3-nitrophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Oc2ccc(OC)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H16N2O4/c1-16-10-11-4-3-5-12(8-11)21-13-6-7-15(20-2)14(9-13)17(18)19/h3-9,16H,10H2,1-2H3
InChIKeyCFFOLACCPHRXBR-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-[3-(3-fluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 63942917
1-[3-(3-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine
CID 106486509
1-[3-(2,5-difluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 63941746
1-(3-methoxy-4-nitrophenyl)-N-methylmethanamine
CID 62114292
4-methoxy-N-[(3-methoxyphenyl)methyl]-3-nitrobenzamide
CID 7749788
1-[3-(2-chloro-5-nitrophenoxy)phenyl]-N-methylmethanamine
CID 63991383
1-[4-(2-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine
CID 61032053
ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanone
CID 103201761
3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine
CID 29015972
4-(4-methoxy-3-nitrophenoxy)benzoic acid
CID 103201557
4-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile
CID 103201670

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxy-3-nitrophenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(4-methoxy-3-nitrophenoxy)phenyl]-N-methylmethanamine (CID 103201891) is 1-[3-(4-methoxy-3-nitrophenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(4-methoxy-3-nitrophenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(4-methoxy-3-nitrophenoxy)phenyl]-N-methylmethanamine is CNCc1cccc(Oc2ccc(OC)c([N+](=O)[O-])c2)c1.
What is the InChIKey of 1-[3-(4-methoxy-3-nitrophenoxy)phenyl]-N-methylmethanamine?
The InChIKey is CFFOLACCPHRXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-16-10-11-4-3-5-12(8-11)21-13-6-7-15(20-2)14(9-13)17(18)19/h3-9,16H,10H2,1-2H3.
What are the key properties of 1-[3-(4-methoxy-3-nitrophenoxy)phenyl]-N-methylmethanamine?
1-[3-(4-methoxy-3-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-[3-(4-methoxy-3-nitrophenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 103201891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).