ethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine

C18H28N2 — CID 91075726

IUPACethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine
SMILESCC.CC.CNc1ccc(Nc2ccc(C)cc2)cc1
InChIInChI=1S/C14H16N2.2C2H6/c1-11-3-5-13(6-4-11)16-14-9-7-12(15-2)8-10-14;2*1-2/h3-10,15-16H,1-2H3;2*1-2H3
InChIKeyDSBQHGHVDYWYJV-UHFFFAOYSA-N
MW272.44 g/mol
LogP5.83
Rot. Bonds3

About ethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine

ethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine (PubChem CID 91075726) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is ethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Nameethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine
PubChem CID91075726
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Nameethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine
SMILESCC.CC.CNc1ccc(Nc2ccc(C)cc2)cc1
InChIInChI=1S/C14H16N2.2C2H6/c1-11-3-5-13(6-4-11)16-14-9-7-12(15-2)8-10-14;2*1-2/h3-10,15-16H,1-2H3;2*1-2H3
InChIKeyDSBQHGHVDYWYJV-UHFFFAOYSA-N
XLogP5.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.44
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

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Related Compounds

methane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine
CID 143782226
N,4-dimethylaniline;ethane
CID 90758225
N,4-dimethylaniline;methane
CID 159702289
2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 158414856
N,4-dimethylaniline;ethene;formaldehyde;molecular hydrogen
CID 143733495
4-N-(4-fluorophenyl)-1-N-methylbenzene-1,4-diamine
CID 101413906
4-methyl-N-(4-methylphenyl)aniline;naphthalene
CID 174486958
4-(methylamino)phenol;1-methyl-4-(4-methylphenyl)benzene
CID 143014115
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline
CID 22013286
ethane;N-methyl-4-(4-methylphenoxy)aniline;toluene
CID 144508046
4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline
CID 101414938
4-methyl-N-(4-trimethylsilylphenyl)aniline
CID 66842036

Frequently Asked Questions

What is the IUPAC name of ethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine?
The IUPAC name of ethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine (CID 91075726) is ethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine.
What is the SMILES notation for ethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine?
The canonical SMILES for ethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine is CC.CC.CNc1ccc(Nc2ccc(C)cc2)cc1.
What is the InChIKey of ethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine?
The InChIKey is DSBQHGHVDYWYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.2C2H6/c1-11-3-5-13(6-4-11)16-14-9-7-12(15-2)8-10-14;2*1-2/h3-10,15-16H,1-2H3;2*1-2H3.
What are the key properties of ethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine?
ethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine has a molecular weight of 272.44 g/mol, XLogP of 5.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 91075726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).