N'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine

C12H20N2 — CID 28772632

IUPACN'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine
SMILESCCc1cccc(C)c1N(C)CCN
InChIInChI=1S/C12H20N2/c1-4-11-7-5-6-10(2)12(11)14(3)9-8-13/h5-7H,4,8-9,13H2,1-3H3
InChIKeyAFRCDBCMRTTZJH-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.95
Rot. Bonds4

About N'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine

N'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine (PubChem CID 28772632) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine
PubChem CID28772632
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine
SMILESCCc1cccc(C)c1N(C)CCN
InChIInChI=1S/C12H20N2/c1-4-11-7-5-6-10(2)12(11)14(3)9-8-13/h5-7H,4,8-9,13H2,1-3H3
InChIKeyAFRCDBCMRTTZJH-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine (CID 28772632) is N'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine is CCc1cccc(C)c1N(C)CCN.
What is the InChIKey of N'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is AFRCDBCMRTTZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-11-7-5-6-10(2)12(11)14(3)9-8-13/h5-7H,4,8-9,13H2,1-3H3.
What are the key properties of N'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine?
N'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 28772632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).