2-N-(3,4-dimethylphenyl)-2-N-ethylpropane-1,2-diamine

C13H22N2 — CID 82021074

IUPAC2-N-(3,4-dimethylphenyl)-2-N-ethylpropane-1,2-diamine
SMILESCCN(c1ccc(C)c(C)c1)C(C)CN
InChIInChI=1S/C13H22N2/c1-5-15(12(4)9-14)13-7-6-10(2)11(3)8-13/h6-8,12H,5,9,14H2,1-4H3
InChIKeySWTNNGVCCPENQK-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.48
Rot. Bonds4

About 2-N-(3,4-dimethylphenyl)-2-N-ethylpropane-1,2-diamine

2-N-(3,4-dimethylphenyl)-2-N-ethylpropane-1,2-diamine (PubChem CID 82021074) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-N-(3,4-dimethylphenyl)-2-N-ethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3,4-dimethylphenyl)-2-N-ethylpropane-1,2-diamine
PubChem CID82021074
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-N-(3,4-dimethylphenyl)-2-N-ethylpropane-1,2-diamine
SMILESCCN(c1ccc(C)c(C)c1)C(C)CN
InChIInChI=1S/C13H22N2/c1-5-15(12(4)9-14)13-7-6-10(2)11(3)8-13/h6-8,12H,5,9,14H2,1-4H3
InChIKeySWTNNGVCCPENQK-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-N-(3,4-dimethylphenyl)-2-N-methylpropane-1,2-diamine
CID 55263892
4-(2-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylaniline
CID 63785848
N'-(3,4-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
CID 115203033
4-[butan-2-yl(ethyl)amino]-2-methylbenzaldehyde
CID 62135587
3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide
CID 83535959
4-[ethyl(1-hydroxyethyl)amino]-2-methylphenol
CID 22755151
N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
CID 119584915
(2S)-2-(3,4-dimethyl-N-propylanilino)propanoic acid
CID 100517847
4-[ethyl(propan-2-yl)amino]-2-methylbenzaldehyde
CID 62134905
N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane
CID 143481987
N,3,4-trimethyl-N-propan-2-ylaniline
CID 117043839
1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine
CID 43753439

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethylphenyl)-2-N-ethylpropane-1,2-diamine?
The IUPAC name of 2-N-(3,4-dimethylphenyl)-2-N-ethylpropane-1,2-diamine (CID 82021074) is 2-N-(3,4-dimethylphenyl)-2-N-ethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(3,4-dimethylphenyl)-2-N-ethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(3,4-dimethylphenyl)-2-N-ethylpropane-1,2-diamine is CCN(c1ccc(C)c(C)c1)C(C)CN.
What is the InChIKey of 2-N-(3,4-dimethylphenyl)-2-N-ethylpropane-1,2-diamine?
The InChIKey is SWTNNGVCCPENQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-15(12(4)9-14)13-7-6-10(2)11(3)8-13/h6-8,12H,5,9,14H2,1-4H3.
What are the key properties of 2-N-(3,4-dimethylphenyl)-2-N-ethylpropane-1,2-diamine?
2-N-(3,4-dimethylphenyl)-2-N-ethylpropane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethylphenyl)-2-N-ethylpropane-1,2-diamine is sourced from PubChem (CID 82021074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).