[3-[(3-methoxyphenyl)methoxy]-4-nitrophenyl]methanamine

C15H16N2O4 — CID 62116037

IUPAC[3-[(3-methoxyphenyl)methoxy]-4-nitrophenyl]methanamine
SMILESCOc1cccc(COc2cc(CN)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O4/c1-20-13-4-2-3-12(7-13)10-21-15-8-11(9-16)5-6-14(15)17(18)19/h2-8H,9-10,16H2,1H3
InChIKeyRGHNDPMBDSEXCL-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.64
Rot. Bonds6

About [3-[(3-methoxyphenyl)methoxy]-4-nitrophenyl]methanamine

[3-[(3-methoxyphenyl)methoxy]-4-nitrophenyl]methanamine (PubChem CID 62116037) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is [3-[(3-methoxyphenyl)methoxy]-4-nitrophenyl]methanamine.

Molecular Properties

Compound Name[3-[(3-methoxyphenyl)methoxy]-4-nitrophenyl]methanamine
PubChem CID62116037
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name[3-[(3-methoxyphenyl)methoxy]-4-nitrophenyl]methanamine
SMILESCOc1cccc(COc2cc(CN)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O4/c1-20-13-4-2-3-12(7-13)10-21-15-8-11(9-16)5-6-14(15)17(18)19/h2-8H,9-10,16H2,1H3
InChIKeyRGHNDPMBDSEXCL-UHFFFAOYSA-N
XLogP2.64
TPSA87.62 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 ≤ 52.64
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

[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60879812
[4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol
CID 28963761
5-[(3-methoxyphenyl)methoxy]-2-nitroaniline
CID 106751925
[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 63046855
[3-[(3-nitrophenyl)methoxy]phenyl]methanamine
CID 60880181
[3-(2-methoxyethoxy)-4-nitrophenyl]methanamine
CID 62115319
[3-(3-methoxypropoxy)-4-nitrophenyl]methanamine
CID 62116550
(3-nitro-4-phenylmethoxyphenyl)methanamine
CID 43319706
[3-[(1-methylpyrazol-4-yl)methoxy]-4-nitrophenyl]methanamine
CID 62114627
4-chloro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
CID 78976835
4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
CID 112722723
2-bromo-1-[(3-methoxyphenyl)methoxy]-4-nitrobenzene
CID 23657937

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methoxyphenyl)methoxy]-4-nitrophenyl]methanamine?
The IUPAC name of [3-[(3-methoxyphenyl)methoxy]-4-nitrophenyl]methanamine (CID 62116037) is [3-[(3-methoxyphenyl)methoxy]-4-nitrophenyl]methanamine.
What is the SMILES notation for [3-[(3-methoxyphenyl)methoxy]-4-nitrophenyl]methanamine?
The canonical SMILES for [3-[(3-methoxyphenyl)methoxy]-4-nitrophenyl]methanamine is COc1cccc(COc2cc(CN)ccc2[N+](=O)[O-])c1.
What is the InChIKey of [3-[(3-methoxyphenyl)methoxy]-4-nitrophenyl]methanamine?
The InChIKey is RGHNDPMBDSEXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-13-4-2-3-12(7-13)10-21-15-8-11(9-16)5-6-14(15)17(18)19/h2-8H,9-10,16H2,1H3.
What are the key properties of [3-[(3-methoxyphenyl)methoxy]-4-nitrophenyl]methanamine?
[3-[(3-methoxyphenyl)methoxy]-4-nitrophenyl]methanamine has a molecular weight of 288.30 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methoxyphenyl)methoxy]-4-nitrophenyl]methanamine is sourced from PubChem (CID 62116037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).