N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine

C13H22N2 — CID 62392429

IUPACN-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCCc1ccccc1CNCCN(C)C
InChIInChI=1S/C13H22N2/c1-4-12-7-5-6-8-13(12)11-14-9-10-15(2)3/h5-8,14H,4,9-11H2,1-3H3
InChIKeyXBDZQVRSXUAETJ-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.90
Rot. Bonds6

About N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine

N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 62392429) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID62392429
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCCc1ccccc1CNCCN(C)C
InChIInChI=1S/C13H22N2/c1-4-12-7-5-6-8-13(12)11-14-9-10-15(2)3/h5-8,14H,4,9-11H2,1-3H3
InChIKeyXBDZQVRSXUAETJ-UHFFFAOYSA-N
XLogP1.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 166473574
N-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040849
N-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3576210
4-[(2-ethylphenyl)methylamino]butan-1-ol
CID 64680949
N'-tert-butyl-N-[(2-ethylphenyl)methyl]ethane-1,2-diamine
CID 113405413
N-[(2,3-dimethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 60657470
N-[[10-[[2-(dimethylamino)ethylamino]methyl]anthracen-9-yl]methyl]-N',N'-dimethylethane-1,2-diamine;tetrahydrochloride
CID 25195436
N-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 70966338
N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide
CID 62392443
N',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine
CID 43220494
N',N'-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 16775609
N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine
CID 113287301

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine (CID 62392429) is N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine is CCc1ccccc1CNCCN(C)C.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is XBDZQVRSXUAETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-12-7-5-6-8-13(12)11-14-9-10-15(2)3/h5-8,14H,4,9-11H2,1-3H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 62392429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).