N-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine

C13H22N2 — CID 3576210

IUPACN-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCCc1ccc(CNCCN(C)C)cc1
InChIInChI=1S/C13H22N2/c1-4-12-5-7-13(8-6-12)11-14-9-10-15(2)3/h5-8,14H,4,9-11H2,1-3H3
InChIKeyQQZQLOWYMZFUEE-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.90
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine

N-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 3576210) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID3576210
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCCc1ccc(CNCCN(C)C)cc1
InChIInChI=1S/C13H22N2/c1-4-12-5-7-13(8-6-12)11-14-9-10-15(2)3/h5-8,14H,4,9-11H2,1-3H3
InChIKeyQQZQLOWYMZFUEE-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-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 70966338
N'-cyclopropyl-N-[(4-ethylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62977559
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
N-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844461
(E)-but-2-ene;ethane;N-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 143170155
N',N'-dimethyl-N-[(4-nitrophenyl)methyl]ethane-1,2-diamine
CID 4721334
2-bromo-N-[(4-ethylphenyl)methyl]ethanamine
CID 115572456
N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 62392429
4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol
CID 4663866
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 5222337
2-[2-(dimethylamino)ethylamino]-N-(4-ethylphenyl)acetamide
CID 108994496
N-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride
CID 17291031

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine (CID 3576210) is N-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine is CCc1ccc(CNCCN(C)C)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is QQZQLOWYMZFUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-12-5-7-13(8-6-12)11-14-9-10-15(2)3/h5-8,14H,4,9-11H2,1-3H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
N-[(4-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-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 3576210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).