2-(4-methylphenoxy)benzene-1,4-diamine

C13H14N2O — CID 163806910

IUPAC2-(4-methylphenoxy)benzene-1,4-diamine
SMILESCc1ccc(Oc2cc(N)ccc2N)cc1
InChIInChI=1S/C13H14N2O/c1-9-2-5-11(6-3-9)16-13-8-10(14)4-7-12(13)15/h2-8H,14-15H2,1H3
InChIKeyNJUJMBXWNHJOAW-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.95
Rot. Bonds2

About 2-(4-methylphenoxy)benzene-1,4-diamine

2-(4-methylphenoxy)benzene-1,4-diamine (PubChem CID 163806910) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(4-methylphenoxy)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(4-methylphenoxy)benzene-1,4-diamine
PubChem CID163806910
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-(4-methylphenoxy)benzene-1,4-diamine
SMILESCc1ccc(Oc2cc(N)ccc2N)cc1
InChIInChI=1S/C13H14N2O/c1-9-2-5-11(6-3-9)16-13-8-10(14)4-7-12(13)15/h2-8H,14-15H2,1H3
InChIKeyNJUJMBXWNHJOAW-UHFFFAOYSA-N
XLogP2.95
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-(4-methylphenoxy)aniline
CID 65342479
2-(4-fluorophenoxy)-4-methylaniline
CID 26189590
2-(4-ethoxyphenoxy)-4-methylaniline
CID 26189599
methyl 4-amino-3-(4-methylphenoxy)benzoate
CID 79017162
4-[3-(4-aminophenoxy)-2,5-dimethylphenoxy]aniline
CID 139877807
4-methyl-2-(3-methylphenoxy)aniline
CID 26189584
3-(4-fluorophenoxy)-4-methylaniline
CID 102167590
4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614
4-[3-[4-(4-methylphenoxy)phenoxy]phenoxy]aniline
CID 174332616
5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline
CID 55215693
2-(3,5-dimethylphenoxy)-4-fluoroaniline
CID 62377840
2,4-bis(3-methylphenoxy)aniline
CID 34173748

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)benzene-1,4-diamine?
The IUPAC name of 2-(4-methylphenoxy)benzene-1,4-diamine (CID 163806910) is 2-(4-methylphenoxy)benzene-1,4-diamine.
What is the SMILES notation for 2-(4-methylphenoxy)benzene-1,4-diamine?
The canonical SMILES for 2-(4-methylphenoxy)benzene-1,4-diamine is Cc1ccc(Oc2cc(N)ccc2N)cc1.
What is the InChIKey of 2-(4-methylphenoxy)benzene-1,4-diamine?
The InChIKey is NJUJMBXWNHJOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-2-5-11(6-3-9)16-13-8-10(14)4-7-12(13)15/h2-8H,14-15H2,1H3.
What are the key properties of 2-(4-methylphenoxy)benzene-1,4-diamine?
2-(4-methylphenoxy)benzene-1,4-diamine has a molecular weight of 214.27 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)benzene-1,4-diamine is sourced from PubChem (CID 163806910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).