[3-[(3-nitrophenyl)methoxy]phenyl]methanamine

C14H14N2O3 — CID 60880181

IUPAC[3-[(3-nitrophenyl)methoxy]phenyl]methanamine
SMILESNCc1cccc(OCc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H14N2O3/c15-9-11-3-2-6-14(8-11)19-10-12-4-1-5-13(7-12)16(17)18/h1-8H,9-10,15H2
InChIKeySALQHBBBSPCGBE-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.63
Rot. Bonds5

About [3-[(3-nitrophenyl)methoxy]phenyl]methanamine

[3-[(3-nitrophenyl)methoxy]phenyl]methanamine (PubChem CID 60880181) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is [3-[(3-nitrophenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(3-nitrophenyl)methoxy]phenyl]methanamine
PubChem CID60880181
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name[3-[(3-nitrophenyl)methoxy]phenyl]methanamine
SMILESNCc1cccc(OCc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C14H14N2O3/c15-9-11-3-2-6-14(8-11)19-10-12-4-1-5-13(7-12)16(17)18/h1-8H,9-10,15H2
InChIKeySALQHBBBSPCGBE-UHFFFAOYSA-N
XLogP2.63
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-nitro-3-[[3-[(3-nitrophenyl)methoxy]phenoxy]methyl]benzene
CID 3841290
1-ethyl-3-[(3-nitrophenyl)methoxy]benzene
CID 60627241
1-[(3-fluorophenoxy)methyl]-3-nitrobenzene
CID 60628017
ethane;1-nitro-3-(phenoxymethyl)benzene
CID 142321514
1-nitro-3-[(4-phenylphenoxy)methyl]benzene
CID 58287787
3-[(3-nitrophenoxy)methyl]benzoic acid
CID 14974400
1-[[4-(4-methylphenyl)phenoxy]methyl]-3-nitrobenzene
CID 894550
1-bromo-2-methyl-4-[(3-nitrophenyl)methoxy]benzene
CID 83132951
[3-[(3-methoxyphenyl)methoxy]-4-nitrophenyl]methanamine
CID 62116037
1-[(4-chlorophenyl)methoxy]-3-nitrobenzene
CID 54035695
4-[(3-nitrophenyl)methoxy]benzenesulfonyl chloride
CID 43108766
2-[(3-nitrophenyl)methoxy]aniline
CID 55032299

Frequently Asked Questions

What is the IUPAC name of [3-[(3-nitrophenyl)methoxy]phenyl]methanamine?
The IUPAC name of [3-[(3-nitrophenyl)methoxy]phenyl]methanamine (CID 60880181) is [3-[(3-nitrophenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-[(3-nitrophenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-[(3-nitrophenyl)methoxy]phenyl]methanamine is NCc1cccc(OCc2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of [3-[(3-nitrophenyl)methoxy]phenyl]methanamine?
The InChIKey is SALQHBBBSPCGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c15-9-11-3-2-6-14(8-11)19-10-12-4-1-5-13(7-12)16(17)18/h1-8H,9-10,15H2.
What are the key properties of [3-[(3-nitrophenyl)methoxy]phenyl]methanamine?
[3-[(3-nitrophenyl)methoxy]phenyl]methanamine has a molecular weight of 258.28 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-nitrophenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 60880181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).