1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine

C20H20N2O2 — CID 19024304

IUPAC1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine
SMILESCOc1ccccc1Nc1cccc(Nc2ccccc2OC)c1
InChIInChI=1S/C20H20N2O2/c1-23-19-12-5-3-10-17(19)21-15-8-7-9-16(14-15)22-18-11-4-6-13-20(18)24-2/h3-14,21-22H,1-2H3
InChIKeyBUIMHAPPLNKHJN-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.19
Rot. Bonds6

About 1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine

1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine (PubChem CID 19024304) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine
PubChem CID19024304
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine
SMILESCOc1ccccc1Nc1cccc(Nc2ccccc2OC)c1
InChIInChI=1S/C20H20N2O2/c1-23-19-12-5-3-10-17(19)21-15-8-7-9-16(14-15)22-18-11-4-6-13-20(18)24-2/h3-14,21-22H,1-2H3
InChIKeyBUIMHAPPLNKHJN-UHFFFAOYSA-N
XLogP5.19
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyanilino)phenol
CID 82537348
2-methoxy-N-phenylaniline
CID 10910514
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
2-N,2-N',7-N,7-N'-tetrakis(2-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 134515822
5-fluoro-N-(3-fluorophenyl)-2-methoxyaniline
CID 82537168
5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine
CID 80722898
5-fluoro-2-methoxy-N-(3-methoxyphenyl)aniline
CID 82537043
N-[3-[[6-(2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112878289
5-chloro-N-(3-chlorophenyl)-2-methoxyaniline
CID 82536935
6-N-(3-fluorophenyl)-4-N-(2-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878300
2-fluoro-5-(2-methoxyanilino)benzoic acid
CID 82537069
3-anilino-N-(2-methoxyphenyl)benzamide
CID 3501279

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine (CID 19024304) is 1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine is COc1ccccc1Nc1cccc(Nc2ccccc2OC)c1.
What is the InChIKey of 1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine?
The InChIKey is BUIMHAPPLNKHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-23-19-12-5-3-10-17(19)21-15-8-7-9-16(14-15)22-18-11-4-6-13-20(18)24-2/h3-14,21-22H,1-2H3.
What are the key properties of 1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine?
1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine has a molecular weight of 320.39 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine is sourced from PubChem (CID 19024304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).