1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine

C20H28N2 — CID 143778678

IUPAC1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine
SMILESCC(C)CC(C)N(C)c1ccc(N(C)c2ccccc2)cc1
InChIInChI=1S/C20H28N2/c1-16(2)15-17(3)21(4)19-11-13-20(14-12-19)22(5)18-9-7-6-8-10-18/h6-14,16-17H,15H2,1-5H3
InChIKeyGAZIKMREZYYYIM-UHFFFAOYSA-N
MW296.46 g/mol
LogP5.33
Rot. Bonds6

About 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine

1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine (PubChem CID 143778678) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine
PubChem CID143778678
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine
SMILESCC(C)CC(C)N(C)c1ccc(N(C)c2ccccc2)cc1
InChIInChI=1S/C20H28N2/c1-16(2)15-17(3)21(4)19-11-13-20(14-12-19)22(5)18-9-7-6-8-10-18/h6-14,16-17H,15H2,1-5H3
InChIKeyGAZIKMREZYYYIM-UHFFFAOYSA-N
XLogP5.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.46
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
4-fluoro-N-methyl-N-phenylaniline
CID 54288754
3-(N-methylanilino)butanoic acid
CID 72755664
ethene;N-methyl-N-phenylaniline
CID 144541479
4-(N-methylanilino)pentan-2-one
CID 64697699
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 59431689
1-N-methyl-4-N-[4-(N-(4-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 58038448
4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline
CID 62128610
N,N-dimethylaniline;N-methyl-N-phenylaniline;naphthalene
CID 161221550
1,1,3,3-tetramethyl-2-[2-(N-methylanilino)propyl]guanidine
CID 111056439

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine (CID 143778678) is 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine is CC(C)CC(C)N(C)c1ccc(N(C)c2ccccc2)cc1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine?
The InChIKey is GAZIKMREZYYYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-16(2)15-17(3)21(4)19-11-13-20(14-12-19)22(5)18-9-7-6-8-10-18/h6-14,16-17H,15H2,1-5H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine?
1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine has a molecular weight of 296.46 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 143778678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).