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

C14H16N2O2 — CID 43132798

IUPAC3-N-(3,5-dimethoxyphenyl)benzene-1,3-diamine
SMILESCOc1cc(Nc2cccc(N)c2)cc(OC)c1
InChIInChI=1S/C14H16N2O2/c1-17-13-7-12(8-14(9-13)18-2)16-11-5-3-4-10(15)6-11/h3-9,16H,15H2,1-2H3
InChIKeyIBOCPWGZMNKXAN-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.03
Rot. Bonds4

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

3-N-(3,5-dimethoxyphenyl)benzene-1,3-diamine (PubChem CID 43132798) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-N-(3,5-dimethoxyphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(3,5-dimethoxyphenyl)benzene-1,3-diamine
PubChem CID43132798
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-N-(3,5-dimethoxyphenyl)benzene-1,3-diamine
SMILESCOc1cc(Nc2cccc(N)c2)cc(OC)c1
InChIInChI=1S/C14H16N2O2/c1-17-13-7-12(8-14(9-13)18-2)16-11-5-3-4-10(15)6-11/h3-9,16H,15H2,1-2H3
InChIKeyIBOCPWGZMNKXAN-UHFFFAOYSA-N
XLogP3.03
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-3-N-(3-methoxyphenyl)benzene-1,3-diamine
CID 80722123
3-N-(4-methoxyphenyl)benzene-1,3-diamine
CID 22486418
5-methoxy-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-diamine
CID 80722727
3-N-(3,4-difluorophenyl)-5-methoxybenzene-1,3-diamine
CID 80722910
3-N-(2,6-dichlorophenyl)-5-methoxybenzene-1,3-diamine
CID 80735790
3-N-[4-(methylamino)phenyl]benzene-1,3-diamine
CID 122513645
5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine
CID 80722898
3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine
CID 43148696
3-methoxyaniline;sulfane
CID 174447811
3-N-(2-chloro-3-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 114251434
3-methoxy-5-methyl-N-phenylaniline
CID 139833752
3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine
CID 115376107

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,5-dimethoxyphenyl)benzene-1,3-diamine?
The IUPAC name of 3-N-(3,5-dimethoxyphenyl)benzene-1,3-diamine (CID 43132798) is 3-N-(3,5-dimethoxyphenyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(3,5-dimethoxyphenyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(3,5-dimethoxyphenyl)benzene-1,3-diamine is COc1cc(Nc2cccc(N)c2)cc(OC)c1.
What is the InChIKey of 3-N-(3,5-dimethoxyphenyl)benzene-1,3-diamine?
The InChIKey is IBOCPWGZMNKXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-17-13-7-12(8-14(9-13)18-2)16-11-5-3-4-10(15)6-11/h3-9,16H,15H2,1-2H3.
What are the key properties of 3-N-(3,5-dimethoxyphenyl)benzene-1,3-diamine?
3-N-(3,5-dimethoxyphenyl)benzene-1,3-diamine has a molecular weight of 244.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,5-dimethoxyphenyl)benzene-1,3-diamine is sourced from PubChem (CID 43132798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).