4-(3,5-dimethoxyphenyl)benzene-1,3-diamine

C14H16N2O2 — CID 22061978

IUPAC4-(3,5-dimethoxyphenyl)benzene-1,3-diamine
SMILESCOc1cc(OC)cc(-c2ccc(N)cc2N)c1
InChIInChI=1S/C14H16N2O2/c1-17-11-5-9(6-12(8-11)18-2)13-4-3-10(15)7-14(13)16/h3-8H,15-16H2,1-2H3
InChIKeyADPIMDJFSBKDBU-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.54
Rot. Bonds3

About 4-(3,5-dimethoxyphenyl)benzene-1,3-diamine

4-(3,5-dimethoxyphenyl)benzene-1,3-diamine (PubChem CID 22061978) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)benzene-1,3-diamine
PubChem CID22061978
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-(3,5-dimethoxyphenyl)benzene-1,3-diamine
SMILESCOc1cc(OC)cc(-c2ccc(N)cc2N)c1
InChIInChI=1S/C14H16N2O2/c1-17-11-5-9(6-12(8-11)18-2)13-4-3-10(15)7-14(13)16/h3-8H,15-16H2,1-2H3
InChIKeyADPIMDJFSBKDBU-UHFFFAOYSA-N
XLogP2.54
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)benzene-1,3-diamine?
The IUPAC name of 4-(3,5-dimethoxyphenyl)benzene-1,3-diamine (CID 22061978) is 4-(3,5-dimethoxyphenyl)benzene-1,3-diamine.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)benzene-1,3-diamine?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)benzene-1,3-diamine is COc1cc(OC)cc(-c2ccc(N)cc2N)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)benzene-1,3-diamine?
The InChIKey is ADPIMDJFSBKDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-17-11-5-9(6-12(8-11)18-2)13-4-3-10(15)7-14(13)16/h3-8H,15-16H2,1-2H3.
What are the key properties of 4-(3,5-dimethoxyphenyl)benzene-1,3-diamine?
4-(3,5-dimethoxyphenyl)benzene-1,3-diamine has a molecular weight of 244.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)benzene-1,3-diamine is sourced from PubChem (CID 22061978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).