N-[2-(2-aminophenyl)phenyl]-N',N'-diethylethane-1,2-diamine

C18H25N3 — CID 12714490

IUPACN-[2-(2-aminophenyl)phenyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1ccccc1-c1ccccc1N
InChIInChI=1S/C18H25N3/c1-3-21(4-2)14-13-20-18-12-8-6-10-16(18)15-9-5-7-11-17(15)19/h5-12,20H,3-4,13-14,19H2,1-2H3
InChIKeyXWWJULFEQQJDFA-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.69
Rot. Bonds7

About N-[2-(2-aminophenyl)phenyl]-N',N'-diethylethane-1,2-diamine

N-[2-(2-aminophenyl)phenyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 12714490) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[2-(2-aminophenyl)phenyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(2-aminophenyl)phenyl]-N',N'-diethylethane-1,2-diamine
PubChem CID12714490
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[2-(2-aminophenyl)phenyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1ccccc1-c1ccccc1N
InChIInChI=1S/C18H25N3/c1-3-21(4-2)14-13-20-18-12-8-6-10-16(18)15-9-5-7-11-17(15)19/h5-12,20H,3-4,13-14,19H2,1-2H3
InChIKeyXWWJULFEQQJDFA-UHFFFAOYSA-N
XLogP3.69
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-[2-(diethylamino)ethyl]-2-methylbenzene-1,3-diamine
CID 63076066
2-[2-(diethylamino)ethylamino]benzenecarbothioamide
CID 28601052
2-[2-(diethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one;dihydrochloride
CID 138398310
N-[(2-aminophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 66385429
4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine
CID 83057902
N-(2,3-dimethylphenyl)-N',N'-diethylethane-1,2-diamine
CID 28585667
2-N-[2-(diethylamino)ethyl]pyridine-2,3-diamine
CID 28818395
4-bromo-1-N-[2-(diethylamino)ethyl]benzene-1,2-diamine
CID 28902518
ethane;2-N-propylbenzene-1,2-diamine
CID 91196578
2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 43454463
2-[2-(diethylamino)ethylamino]-N-methylbenzenesulfonamide
CID 43454301
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminophenyl)phenyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[2-(2-aminophenyl)phenyl]-N',N'-diethylethane-1,2-diamine (CID 12714490) is N-[2-(2-aminophenyl)phenyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[2-(2-aminophenyl)phenyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[2-(2-aminophenyl)phenyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1ccccc1-c1ccccc1N.
What is the InChIKey of N-[2-(2-aminophenyl)phenyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is XWWJULFEQQJDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-21(4-2)14-13-20-18-12-8-6-10-16(18)15-9-5-7-11-17(15)19/h5-12,20H,3-4,13-14,19H2,1-2H3.
What are the key properties of N-[2-(2-aminophenyl)phenyl]-N',N'-diethylethane-1,2-diamine?
N-[2-(2-aminophenyl)phenyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 283.42 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminophenyl)phenyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 12714490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).