4-(3-methylphenoxy)benzene-1,2-diamine

C13H14N2O — CID 10488820

IUPAC4-(3-methylphenoxy)benzene-1,2-diamine
SMILESCc1cccc(Oc2ccc(N)c(N)c2)c1
InChIInChI=1S/C13H14N2O/c1-9-3-2-4-10(7-9)16-11-5-6-12(14)13(15)8-11/h2-8H,14-15H2,1H3
InChIKeyYRPXGOAXCUIMLQ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.95
Rot. Bonds2

About 4-(3-methylphenoxy)benzene-1,2-diamine

4-(3-methylphenoxy)benzene-1,2-diamine (PubChem CID 10488820) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-(3-methylphenoxy)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(3-methylphenoxy)benzene-1,2-diamine
PubChem CID10488820
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-(3-methylphenoxy)benzene-1,2-diamine
SMILESCc1cccc(Oc2ccc(N)c(N)c2)c1
InChIInChI=1S/C13H14N2O/c1-9-3-2-4-10(7-9)16-11-5-6-12(14)13(15)8-11/h2-8H,14-15H2,1H3
InChIKeyYRPXGOAXCUIMLQ-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

2,4-bis(3-methylphenoxy)aniline
CID 34173748
2-chloro-4-(3-methylphenoxy)aniline
CID 106701509
4-methyl-2-(3-methylphenoxy)aniline
CID 26189584
3-methylaniline;1-methyl-3-phenoxybenzene
CID 144834027
4-(3-methylphenoxy)-2-propan-2-yloxyaniline
CID 83001982
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
[4-(3-methylphenoxy)phenyl]hydrazine
CID 69023705
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463
4-[3-[4-(4-methylphenoxy)phenoxy]phenoxy]aniline
CID 174332616
4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614
3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline
CID 19762800

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)benzene-1,2-diamine?
The IUPAC name of 4-(3-methylphenoxy)benzene-1,2-diamine (CID 10488820) is 4-(3-methylphenoxy)benzene-1,2-diamine.
What is the SMILES notation for 4-(3-methylphenoxy)benzene-1,2-diamine?
The canonical SMILES for 4-(3-methylphenoxy)benzene-1,2-diamine is Cc1cccc(Oc2ccc(N)c(N)c2)c1.
What is the InChIKey of 4-(3-methylphenoxy)benzene-1,2-diamine?
The InChIKey is YRPXGOAXCUIMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-3-2-4-10(7-9)16-11-5-6-12(14)13(15)8-11/h2-8H,14-15H2,1H3.
What are the key properties of 4-(3-methylphenoxy)benzene-1,2-diamine?
4-(3-methylphenoxy)benzene-1,2-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 4-(3-methylphenoxy)benzene-1,2-diamine is sourced from PubChem (CID 10488820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).