1-[4-(2-aminoethyl)-2-methylphenyl]-2-ethylguanidine;dihydrochloride

C12H22Cl2N4 — CID 18622046

IUPAC1-[4-(2-aminoethyl)-2-methylphenyl]-2-ethylguanidine;dihydrochloride
SMILESCC/N=C(\N)Nc1ccc(CCN)cc1C.Cl.Cl
InChIInChI=1S/C12H20N4.2ClH/c1-3-15-12(14)16-11-5-4-10(6-7-13)8-9(11)2;;/h4-5,8H,3,6-7,13H2,1-2H3,(H3,14,15,16);2*1H
InChIKeyDIVCQWKVRZRAOL-UHFFFAOYSA-N
MW293.24 g/mol
LogP2.09
Rot. Bonds4

About 1-[4-(2-aminoethyl)-2-methylphenyl]-2-ethylguanidine;dihydrochloride

1-[4-(2-aminoethyl)-2-methylphenyl]-2-ethylguanidine;dihydrochloride (PubChem CID 18622046) has the molecular formula C12H22Cl2N4 and a molecular weight of 293.24 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)-2-methylphenyl]-2-ethylguanidine;dihydrochloride.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)-2-methylphenyl]-2-ethylguanidine;dihydrochloride
PubChem CID18622046
Molecular FormulaC12H22Cl2N4
Molecular Weight293.24 g/mol
Exact Mass292.12
IUPAC Name1-[4-(2-aminoethyl)-2-methylphenyl]-2-ethylguanidine;dihydrochloride
SMILESCC/N=C(\N)Nc1ccc(CCN)cc1C.Cl.Cl
InChIInChI=1S/C12H20N4.2ClH/c1-3-15-12(14)16-11-5-4-10(6-7-13)8-9(11)2;;/h4-5,8H,3,6-7,13H2,1-2H3,(H3,14,15,16);2*1H
InChIKeyDIVCQWKVRZRAOL-UHFFFAOYSA-N
XLogP2.09
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-1-(4-fluoro-2-methylphenyl)guanidine
CID 62381276
2-ethyl-1-(5-iodo-2-methylphenyl)guanidine
CID 130498289
1-(4-butyl-2-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 11638181
1-(4-methoxy-2-methylphenyl)-2-propylguanidine
CID 62871923
2-ethyl-1-(2-fluoro-3-methylphenyl)guanidine
CID 130497399
1-(2,3-dimethylphenyl)-2-ethylguanidine;hydroiodide
CID 117068479
1-(5-bromo-2-fluorophenyl)-2-ethylguanidine
CID 62381111
1-(2,6-dimethylphenyl)-2-ethylguanidine
CID 62378906
2-ethyl-1-(3-fluoro-2-iodophenyl)guanidine
CID 130499719
2-(4-chloro-3-methylphenyl)ethanamine;hydrochloride
CID 134085940
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine
CID 63667290
1-(2-chloro-5-fluorophenyl)-2-ethylguanidine
CID 107531361

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)-2-methylphenyl]-2-ethylguanidine;dihydrochloride?
The IUPAC name of 1-[4-(2-aminoethyl)-2-methylphenyl]-2-ethylguanidine;dihydrochloride (CID 18622046) is 1-[4-(2-aminoethyl)-2-methylphenyl]-2-ethylguanidine;dihydrochloride.
What is the SMILES notation for 1-[4-(2-aminoethyl)-2-methylphenyl]-2-ethylguanidine;dihydrochloride?
The canonical SMILES for 1-[4-(2-aminoethyl)-2-methylphenyl]-2-ethylguanidine;dihydrochloride is CC/N=C(\N)Nc1ccc(CCN)cc1C.Cl.Cl.
What is the InChIKey of 1-[4-(2-aminoethyl)-2-methylphenyl]-2-ethylguanidine;dihydrochloride?
The InChIKey is DIVCQWKVRZRAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4.2ClH/c1-3-15-12(14)16-11-5-4-10(6-7-13)8-9(11)2;;/h4-5,8H,3,6-7,13H2,1-2H3,(H3,14,15,16);2*1H.
What are the key properties of 1-[4-(2-aminoethyl)-2-methylphenyl]-2-ethylguanidine;dihydrochloride?
1-[4-(2-aminoethyl)-2-methylphenyl]-2-ethylguanidine;dihydrochloride has a molecular weight of 293.24 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)-2-methylphenyl]-2-ethylguanidine;dihydrochloride is sourced from PubChem (CID 18622046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).