3-N-[2-(dimethylamino)ethyl]-5-methylbenzene-1,3-diamine

C11H19N3 — CID 112646930

IUPAC3-N-[2-(dimethylamino)ethyl]-5-methylbenzene-1,3-diamine
SMILESCc1cc(N)cc(NCCN(C)C)c1
InChIInChI=1S/C11H19N3/c1-9-6-10(12)8-11(7-9)13-4-5-14(2)3/h6-8,13H,4-5,12H2,1-3H3
InChIKeyULVJKDDGIJUWNL-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.55
Rot. Bonds4

About 3-N-[2-(dimethylamino)ethyl]-5-methylbenzene-1,3-diamine

3-N-[2-(dimethylamino)ethyl]-5-methylbenzene-1,3-diamine (PubChem CID 112646930) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-N-[2-(dimethylamino)ethyl]-5-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[2-(dimethylamino)ethyl]-5-methylbenzene-1,3-diamine
PubChem CID112646930
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-N-[2-(dimethylamino)ethyl]-5-methylbenzene-1,3-diamine
SMILESCc1cc(N)cc(NCCN(C)C)c1
InChIInChI=1S/C11H19N3/c1-9-6-10(12)8-11(7-9)13-4-5-14(2)3/h6-8,13H,4-5,12H2,1-3H3
InChIKeyULVJKDDGIJUWNL-UHFFFAOYSA-N
XLogP1.55
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.55
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

5-methyl-3-N-[3-(N-methylanilino)propyl]benzene-1,3-diamine
CID 115980597
4-(3-amino-5-methylanilino)butan-2-ol
CID 112647909
N-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525201
N-[2-(3-amino-5-methylanilino)ethyl]acetamide
CID 59089860
5-methyl-3-N-(3-methylpentyl)benzene-1,3-diamine
CID 178004989
2-(3-amino-5-methylanilino)-N-methylethanesulfonamide
CID 106334106
5-methyl-3-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzene-1,3-diamine
CID 112647815
5-methyl-3-N-[2-(3-methylbutoxy)ethyl]benzene-1,3-diamine
CID 112647608
3-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzene-1,3-diamine
CID 112647165
3-N-(2-methoxy-2-methylpropyl)-5-methylbenzene-1,3-diamine
CID 104758816
5-[2-(dimethylamino)ethylamino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109185542
5-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine
CID 112646911

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(dimethylamino)ethyl]-5-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-[2-(dimethylamino)ethyl]-5-methylbenzene-1,3-diamine (CID 112646930) is 3-N-[2-(dimethylamino)ethyl]-5-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-[2-(dimethylamino)ethyl]-5-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-[2-(dimethylamino)ethyl]-5-methylbenzene-1,3-diamine is Cc1cc(N)cc(NCCN(C)C)c1.
What is the InChIKey of 3-N-[2-(dimethylamino)ethyl]-5-methylbenzene-1,3-diamine?
The InChIKey is ULVJKDDGIJUWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9-6-10(12)8-11(7-9)13-4-5-14(2)3/h6-8,13H,4-5,12H2,1-3H3.
What are the key properties of 3-N-[2-(dimethylamino)ethyl]-5-methylbenzene-1,3-diamine?
3-N-[2-(dimethylamino)ethyl]-5-methylbenzene-1,3-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(dimethylamino)ethyl]-5-methylbenzene-1,3-diamine is sourced from PubChem (CID 112646930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).