N'-(4-ethyl-2-methylphenyl)-N,N'-dimethylmethanediamine

C12H20N2 — CID 155027571

IUPACN'-(4-ethyl-2-methylphenyl)-N,N'-dimethylmethanediamine
SMILESCCc1ccc(N(C)CNC)c(C)c1
InChIInChI=1S/C12H20N2/c1-5-11-6-7-12(10(2)8-11)14(4)9-13-3/h6-8,13H,5,9H2,1-4H3
InChIKeyKAHFMJIPTVXUFI-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.17
Rot. Bonds4

About N'-(4-ethyl-2-methylphenyl)-N,N'-dimethylmethanediamine

N'-(4-ethyl-2-methylphenyl)-N,N'-dimethylmethanediamine (PubChem CID 155027571) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N'-(4-ethyl-2-methylphenyl)-N,N'-dimethylmethanediamine.

Molecular Properties

Compound NameN'-(4-ethyl-2-methylphenyl)-N,N'-dimethylmethanediamine
PubChem CID155027571
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN'-(4-ethyl-2-methylphenyl)-N,N'-dimethylmethanediamine
SMILESCCc1ccc(N(C)CNC)c(C)c1
InChIInChI=1S/C12H20N2/c1-5-11-6-7-12(10(2)8-11)14(4)9-13-3/h6-8,13H,5,9H2,1-4H3
InChIKeyKAHFMJIPTVXUFI-UHFFFAOYSA-N
XLogP2.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-ethyl-2-methylphenyl)-N,N'-dimethylmethanediamine?
The IUPAC name of N'-(4-ethyl-2-methylphenyl)-N,N'-dimethylmethanediamine (CID 155027571) is N'-(4-ethyl-2-methylphenyl)-N,N'-dimethylmethanediamine.
What is the SMILES notation for N'-(4-ethyl-2-methylphenyl)-N,N'-dimethylmethanediamine?
The canonical SMILES for N'-(4-ethyl-2-methylphenyl)-N,N'-dimethylmethanediamine is CCc1ccc(N(C)CNC)c(C)c1.
What is the InChIKey of N'-(4-ethyl-2-methylphenyl)-N,N'-dimethylmethanediamine?
The InChIKey is KAHFMJIPTVXUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-11-6-7-12(10(2)8-11)14(4)9-13-3/h6-8,13H,5,9H2,1-4H3.
What are the key properties of N'-(4-ethyl-2-methylphenyl)-N,N'-dimethylmethanediamine?
N'-(4-ethyl-2-methylphenyl)-N,N'-dimethylmethanediamine has a molecular weight of 192.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethyl-2-methylphenyl)-N,N'-dimethylmethanediamine is sourced from PubChem (CID 155027571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).