N'-(2-ethylphenyl)-N'-methylethane-1,2-diamine

C11H18N2 — CID 28772630

IUPACN'-(2-ethylphenyl)-N'-methylethane-1,2-diamine
SMILESCCc1ccccc1N(C)CCN
InChIInChI=1S/C11H18N2/c1-3-10-6-4-5-7-11(10)13(2)9-8-12/h4-7H,3,8-9,12H2,1-2H3
InChIKeyRIGYQNWSSXFDGA-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.64
Rot. Bonds4

About N'-(2-ethylphenyl)-N'-methylethane-1,2-diamine

N'-(2-ethylphenyl)-N'-methylethane-1,2-diamine (PubChem CID 28772630) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N'-(2-ethylphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethylphenyl)-N'-methylethane-1,2-diamine
PubChem CID28772630
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN'-(2-ethylphenyl)-N'-methylethane-1,2-diamine
SMILESCCc1ccccc1N(C)CCN
InChIInChI=1S/C11H18N2/c1-3-10-6-4-5-7-11(10)13(2)9-8-12/h4-7H,3,8-9,12H2,1-2H3
InChIKeyRIGYQNWSSXFDGA-UHFFFAOYSA-N
XLogP1.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2-ethyl-6-methylphenyl)-N'-methylethane-1,2-diamine
CID 28772632
N'-ethyl-N'-(2-ethylphenyl)propane-1,3-diamine
CID 28772957
N'-methyl-N'-(2-phenoxyphenyl)ethane-1,2-diamine
CID 28772700
N'-ethyl-N'-[(2-ethylphenyl)methyl]ethane-1,2-diamine
CID 103102282
N'-[2-(2-aminobutyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63795925
[2-[butyl(methyl)amino]phenyl]methanol
CID 28945677
2-[2-[2-hydroxyethyl(methyl)amino]phenyl]acetic acid
CID 83820596
ethane;N-methyl-2-(2-methylpropyl)-N-propylaniline
CID 144845826
2-[2-ethyl-N-(2-hydroxyethyl)anilino]ethanol
CID 21391330
1-[2-[2-(aminomethyl)-N-methylanilino]ethyl]pyridin-2-one
CID 82897830
2-(aminomethyl)-N-(2-ethylbutyl)-N-methylaniline
CID 82925975
2-N-butyl-1-N,2-N-dimethyl-1-N-propylbenzene-1,2-diamine
CID 142020233

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(2-ethylphenyl)-N'-methylethane-1,2-diamine (CID 28772630) is N'-(2-ethylphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethylphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(2-ethylphenyl)-N'-methylethane-1,2-diamine is CCc1ccccc1N(C)CCN.
What is the InChIKey of N'-(2-ethylphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is RIGYQNWSSXFDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-10-6-4-5-7-11(10)13(2)9-8-12/h4-7H,3,8-9,12H2,1-2H3.
What are the key properties of N'-(2-ethylphenyl)-N'-methylethane-1,2-diamine?
N'-(2-ethylphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 178.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 28772630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).