1-N,2-N-bis(2-methylphenyl)-2-N-octylbenzene-1,2-diamine

C28H36N2 — CID 134866352

IUPAC1-N,2-N-bis(2-methylphenyl)-2-N-octylbenzene-1,2-diamine
SMILESCCCCCCCCN(c1ccccc1C)c1ccccc1Nc1ccccc1C
InChIInChI=1S/C28H36N2/c1-4-5-6-7-8-15-22-30(27-20-13-10-17-24(27)3)28-21-14-12-19-26(28)29-25-18-11-9-16-23(25)2/h9-14,16-21,29H,4-8,15,22H2,1-3H3
InChIKeyHOBDXFZCMCQZAZ-UHFFFAOYSA-N
MW400.61 g/mol
LogP8.55
Rot. Bonds11

About 1-N,2-N-bis(2-methylphenyl)-2-N-octylbenzene-1,2-diamine

1-N,2-N-bis(2-methylphenyl)-2-N-octylbenzene-1,2-diamine (PubChem CID 134866352) has the molecular formula C28H36N2 and a molecular weight of 400.61 g/mol. Its IUPAC name is 1-N,2-N-bis(2-methylphenyl)-2-N-octylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis(2-methylphenyl)-2-N-octylbenzene-1,2-diamine
PubChem CID134866352
Molecular FormulaC28H36N2
Molecular Weight400.61 g/mol
Exact Mass400.29
IUPAC Name1-N,2-N-bis(2-methylphenyl)-2-N-octylbenzene-1,2-diamine
SMILESCCCCCCCCN(c1ccccc1C)c1ccccc1Nc1ccccc1C
InChIInChI=1S/C28H36N2/c1-4-5-6-7-8-15-22-30(27-20-13-10-17-24(27)3)28-21-14-12-19-26(28)29-25-18-11-9-16-23(25)2/h9-14,16-21,29H,4-8,15,22H2,1-3H3
InChIKeyHOBDXFZCMCQZAZ-UHFFFAOYSA-N
XLogP8.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.61
LogP ≤ 58.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-(5-chloro-2-methylphenyl)-2,5-dimethyl-1-N-(2-methylphenyl)-1-N,4-N-dioctylbenzene-1,4-diamine
CID 134866313
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CID 174279971
1-hexyl-2-methyl-1-(2-methylphenyl)hydrazine
CID 174444235
tetrakis(2-methyl-N-octylanilino)phosphanium
CID 21238722
3'-(2-methylanilino)-6'-(2-methyl-N-octylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 102394110
1-(2-methylphenyl)-1,3-dioctadecylurea
CID 141260118
2-(2-methyl-N-propylanilino)phenol
CID 12677144
1,1-dibutyl-3-(2-methylphenyl)thiourea
CID 19653127
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
N-[2-(N-dodecanoyl-2-methylanilino)ethyl]-N-(2-methylphenyl)dodecanamide
CID 4038839
N'-methyl-N'-(2-methylphenyl)-N-pentylethane-1,2-diamine
CID 62554618
butane;N-octyl-N-phenylaniline
CID 175431375

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(2-methylphenyl)-2-N-octylbenzene-1,2-diamine?
The IUPAC name of 1-N,2-N-bis(2-methylphenyl)-2-N-octylbenzene-1,2-diamine (CID 134866352) is 1-N,2-N-bis(2-methylphenyl)-2-N-octylbenzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis(2-methylphenyl)-2-N-octylbenzene-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis(2-methylphenyl)-2-N-octylbenzene-1,2-diamine is CCCCCCCCN(c1ccccc1C)c1ccccc1Nc1ccccc1C.
What is the InChIKey of 1-N,2-N-bis(2-methylphenyl)-2-N-octylbenzene-1,2-diamine?
The InChIKey is HOBDXFZCMCQZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2/c1-4-5-6-7-8-15-22-30(27-20-13-10-17-24(27)3)28-21-14-12-19-26(28)29-25-18-11-9-16-23(25)2/h9-14,16-21,29H,4-8,15,22H2,1-3H3.
What are the key properties of 1-N,2-N-bis(2-methylphenyl)-2-N-octylbenzene-1,2-diamine?
1-N,2-N-bis(2-methylphenyl)-2-N-octylbenzene-1,2-diamine has a molecular weight of 400.61 g/mol, XLogP of 8.55, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(2-methylphenyl)-2-N-octylbenzene-1,2-diamine is sourced from PubChem (CID 134866352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).