2-N-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzene-1,2-diamine

C20H20N2 — CID 162465787

IUPAC2-N-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzene-1,2-diamine
SMILES[2H]C([2H])([2H])c1cccc(C([2H])([2H])[2H])c1-c1ccccc1Nc1ccccc1N
InChIInChI=1S/C20H20N2/c1-14-8-7-9-15(2)20(14)16-10-3-5-12-18(16)22-19-13-6-4-11-17(19)21/h3-13,22H,21H2,1-2H3/i1D3,2D3
InChIKeyPSXJEFBEOSESLU-WFGJKAKNSA-N
MW294.43 g/mol
LogP5.30
Rot. Bonds5

About 2-N-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzene-1,2-diamine

2-N-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzene-1,2-diamine (PubChem CID 162465787) has the molecular formula C20H20N2 and a molecular weight of 294.43 g/mol. Its IUPAC name is 2-N-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzene-1,2-diamine
PubChem CID162465787
Molecular FormulaC20H20N2
Molecular Weight294.43 g/mol
Exact Mass294.20
IUPAC Name2-N-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzene-1,2-diamine
SMILES[2H]C([2H])([2H])c1cccc(C([2H])([2H])[2H])c1-c1ccccc1Nc1ccccc1N
InChIInChI=1S/C20H20N2/c1-14-8-7-9-15(2)20(14)16-10-3-5-12-18(16)22-19-13-6-4-11-17(19)21/h3-13,22H,21H2,1-2H3/i1D3,2D3
InChIKeyPSXJEFBEOSESLU-WFGJKAKNSA-N
XLogP5.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.43
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(trideuteriomethyl)benzene-1,2-diamine
CID 71315901
2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 29067178
2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine
CID 18522059
2,6-bis(trideuteriomethyl)aniline
CID 45039069
1-(2-methylphenyl)naphthalene;2-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzene-1,2-diamine
CID 143548310
2-N-(4-bromo-2-methylphenyl)benzene-1,2-diamine
CID 18404976
2-N-(3-phenyl-2-thiophen-2-ylphenyl)benzene-1,2-diamine
CID 175536244
2,6-bis(trideuteriomethyl)aniline;hydrochloride
CID 163322682
deuteriomethane;2-methylaniline
CID 90744870
2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 60903784
tris(2-methylaniline);phosphane
CID 158408493
2-methylaniline;dihydrochloride
CID 23331471

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzene-1,2-diamine (CID 162465787) is 2-N-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzene-1,2-diamine is [2H]C([2H])([2H])c1cccc(C([2H])([2H])[2H])c1-c1ccccc1Nc1ccccc1N.
What is the InChIKey of 2-N-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzene-1,2-diamine?
The InChIKey is PSXJEFBEOSESLU-WFGJKAKNSA-N. The full InChI is InChI=1S/C20H20N2/c1-14-8-7-9-15(2)20(14)16-10-3-5-12-18(16)22-19-13-6-4-11-17(19)21/h3-13,22H,21H2,1-2H3/i1D3,2D3.
What are the key properties of 2-N-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzene-1,2-diamine?
2-N-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzene-1,2-diamine has a molecular weight of 294.43 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[2,6-bis(trideuteriomethyl)phenyl]phenyl]benzene-1,2-diamine is sourced from PubChem (CID 162465787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).