1-N-[2-(dimethylamino)ethyl]-4-ethyl-1-N-methylbenzene-1,2-diamine

C13H23N3 — CID 130203521

IUPAC1-N-[2-(dimethylamino)ethyl]-4-ethyl-1-N-methylbenzene-1,2-diamine
SMILESCCc1ccc(N(C)CCN(C)C)c(N)c1
InChIInChI=1S/C13H23N3/c1-5-11-6-7-13(12(14)10-11)16(4)9-8-15(2)3/h6-7,10H,5,8-9,14H2,1-4H3
InChIKeyKOWGHFINBDDRQA-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.83
Rot. Bonds5

About 1-N-[2-(dimethylamino)ethyl]-4-ethyl-1-N-methylbenzene-1,2-diamine

1-N-[2-(dimethylamino)ethyl]-4-ethyl-1-N-methylbenzene-1,2-diamine (PubChem CID 130203521) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-4-ethyl-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-4-ethyl-1-N-methylbenzene-1,2-diamine
PubChem CID130203521
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-N-[2-(dimethylamino)ethyl]-4-ethyl-1-N-methylbenzene-1,2-diamine
SMILESCCc1ccc(N(C)CCN(C)C)c(N)c1
InChIInChI=1S/C13H23N3/c1-5-11-6-7-13(12(14)10-11)16(4)9-8-15(2)3/h6-7,10H,5,8-9,14H2,1-4H3
InChIKeyKOWGHFINBDDRQA-UHFFFAOYSA-N
XLogP1.83
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-N-[2-(dimethylamino)ethyl]-1-N-methylbenzene-1,2-diamine
CID 63695139
4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115468988
2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine
CID 63693587
4-bromo-1-N-[2-(dimethylamino)ethyl]-5-fluoro-1-N-methylbenzene-1,2-diamine
CID 66111537
ethyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]benzoate
CID 63701067
N'-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 81165775
N'-[4-(2-aminopropyl)-2-bromophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 114063003
3-amino-4-[methyl(propyl)amino]benzonitrile
CID 43518165
4-iodo-1-N-methyl-1-N-pentylbenzene-1,2-diamine
CID 66065676
1-N-(4-ethylphenyl)-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 62001859
5-ethyl-2-fluoroaniline
CID 10630567
N'-[N-[3-amino-4-[2-(dimethylamino)ethyl-methylamino]phenyl]-N'-methylcarbamimidoyl]ethanimidamide
CID 174034616

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-4-ethyl-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-4-ethyl-1-N-methylbenzene-1,2-diamine (CID 130203521) is 1-N-[2-(dimethylamino)ethyl]-4-ethyl-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-4-ethyl-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-4-ethyl-1-N-methylbenzene-1,2-diamine is CCc1ccc(N(C)CCN(C)C)c(N)c1.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-4-ethyl-1-N-methylbenzene-1,2-diamine?
The InChIKey is KOWGHFINBDDRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-11-6-7-13(12(14)10-11)16(4)9-8-15(2)3/h6-7,10H,5,8-9,14H2,1-4H3.
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-4-ethyl-1-N-methylbenzene-1,2-diamine?
1-N-[2-(dimethylamino)ethyl]-4-ethyl-1-N-methylbenzene-1,2-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)ethyl]-4-ethyl-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 130203521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).