[4-(2,4-dimethyl-6-nitrophenoxy)-3-methylphenyl]methanamine

C16H18N2O3 — CID 62124219

IUPAC[4-(2,4-dimethyl-6-nitrophenoxy)-3-methylphenyl]methanamine
SMILESCc1cc(C)c(Oc2ccc(CN)cc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C16H18N2O3/c1-10-6-12(3)16(14(7-10)18(19)20)21-15-5-4-13(9-17)8-11(15)2/h4-8H,9,17H2,1-3H3
InChIKeyLBHOKMAQAGFKEF-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.77
Rot. Bonds4

About [4-(2,4-dimethyl-6-nitrophenoxy)-3-methylphenyl]methanamine

[4-(2,4-dimethyl-6-nitrophenoxy)-3-methylphenyl]methanamine (PubChem CID 62124219) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is [4-(2,4-dimethyl-6-nitrophenoxy)-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-(2,4-dimethyl-6-nitrophenoxy)-3-methylphenyl]methanamine
PubChem CID62124219
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name[4-(2,4-dimethyl-6-nitrophenoxy)-3-methylphenyl]methanamine
SMILESCc1cc(C)c(Oc2ccc(CN)cc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C16H18N2O3/c1-10-6-12(3)16(14(7-10)18(19)20)21-15-5-4-13(9-17)8-11(15)2/h4-8H,9,17H2,1-3H3
InChIKeyLBHOKMAQAGFKEF-UHFFFAOYSA-N
XLogP3.77
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.77
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

[4-(2,6-dibromo-4-nitrophenoxy)-3-methylphenyl]methanamine
CID 62124218
2-[4-(bromomethyl)-2-fluorophenoxy]-1,5-dimethyl-3-nitrobenzene
CID 107088286
[4-(2-fluoro-5-methyl-4-nitrophenoxy)-3-methylphenyl]methanamine
CID 114417368
2-[4-(chloromethyl)phenoxy]-1,5-dimethyl-3-nitrobenzene
CID 63566433
[3-methyl-4-(3-methyl-2-nitrophenoxy)phenyl]methanamine
CID 62125464
[3-methyl-4-(2,3,5-trimethylphenoxy)phenyl]methanamine
CID 63457064
(1S)-1-[2-(2,4-dimethyl-6-nitrophenoxy)phenyl]ethanamine
CID 63370124
(4-methyl-3-nitrophenyl)methanamine
CID 18468134
[3-methyl-4-(4-methylphenoxy)phenyl]methanamine
CID 55025691
[3-fluoro-4-(5-methyl-2-nitrophenoxy)phenyl]methanamine
CID 61031147
[3-(4-bromo-2-nitrophenoxy)-4-methylphenyl]methanamine
CID 105407397
4-(2,4-dimethyl-6-nitrophenoxy)benzaldehyde
CID 62099520

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethyl-6-nitrophenoxy)-3-methylphenyl]methanamine?
The IUPAC name of [4-(2,4-dimethyl-6-nitrophenoxy)-3-methylphenyl]methanamine (CID 62124219) is [4-(2,4-dimethyl-6-nitrophenoxy)-3-methylphenyl]methanamine.
What is the SMILES notation for [4-(2,4-dimethyl-6-nitrophenoxy)-3-methylphenyl]methanamine?
The canonical SMILES for [4-(2,4-dimethyl-6-nitrophenoxy)-3-methylphenyl]methanamine is Cc1cc(C)c(Oc2ccc(CN)cc2C)c([N+](=O)[O-])c1.
What is the InChIKey of [4-(2,4-dimethyl-6-nitrophenoxy)-3-methylphenyl]methanamine?
The InChIKey is LBHOKMAQAGFKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-6-12(3)16(14(7-10)18(19)20)21-15-5-4-13(9-17)8-11(15)2/h4-8H,9,17H2,1-3H3.
What are the key properties of [4-(2,4-dimethyl-6-nitrophenoxy)-3-methylphenyl]methanamine?
[4-(2,4-dimethyl-6-nitrophenoxy)-3-methylphenyl]methanamine has a molecular weight of 286.33 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethyl-6-nitrophenoxy)-3-methylphenyl]methanamine is sourced from PubChem (CID 62124219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).