[4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine

C14H14N2O4 — CID 62110461

IUPAC[4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine
SMILESCOc1cc([N+](=O)[O-])ccc1Oc1ccc(CN)cc1
InChIInChI=1S/C14H14N2O4/c1-19-14-8-11(16(17)18)4-7-13(14)20-12-5-2-10(9-15)3-6-12/h2-8H,9,15H2,1H3
InChIKeyQXODSZFMHKHYIW-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.85
Rot. Bonds5

About [4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine

[4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine (PubChem CID 62110461) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is [4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine
PubChem CID62110461
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name[4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine
SMILESCOc1cc([N+](=O)[O-])ccc1Oc1ccc(CN)cc1
InChIInChI=1S/C14H14N2O4/c1-19-14-8-11(16(17)18)4-7-13(14)20-12-5-2-10(9-15)3-6-12/h2-8H,9,15H2,1H3
InChIKeyQXODSZFMHKHYIW-UHFFFAOYSA-N
XLogP2.85
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.85
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-[4-(2-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine
CID 61032053
3,5-bis(2-methoxy-4-nitrophenoxy)aniline
CID 87090189
[2-chloro-6-(2-methoxy-4-nitrophenoxy)phenyl]methanamine
CID 62110298
[1-[3-methoxy-4-(4-nitrophenoxy)phenyl]-2-methylpropan-2-yl] carbamate
CID 68969954
1,4-dimethoxy-2-(4-nitrophenoxy)benzene
CID 58929090
3-methoxy-4-(4-nitrophenoxy)benzoic acid
CID 61395589
(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83109960
(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83109459
2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081
2-[4-(chloromethyl)phenoxy]-1-methyl-4-nitrobenzene
CID 63566428
2-chloro-1-[4-[(2-methoxyphenoxy)methyl]phenoxy]-4-nitrobenzene
CID 1313653
2,3-dichloro-1-methoxy-4-(4-nitrophenoxy)benzene
CID 13145675

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine?
The IUPAC name of [4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine (CID 62110461) is [4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine.
What is the SMILES notation for [4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine?
The canonical SMILES for [4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine is COc1cc([N+](=O)[O-])ccc1Oc1ccc(CN)cc1.
What is the InChIKey of [4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine?
The InChIKey is QXODSZFMHKHYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-19-14-8-11(16(17)18)4-7-13(14)20-12-5-2-10(9-15)3-6-12/h2-8H,9,15H2,1H3.
What are the key properties of [4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine?
[4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine has a molecular weight of 274.28 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine is sourced from PubChem (CID 62110461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).