phenyl-(2,3,4,5-tetramethylphenyl)methanediamine;hydrochloride

C17H23ClN2 — CID 158650690

IUPACphenyl-(2,3,4,5-tetramethylphenyl)methanediamine;hydrochloride
SMILESCc1cc(C(N)(N)c2ccccc2)c(C)c(C)c1C.Cl
InChIInChI=1S/C17H22N2.ClH/c1-11-10-16(14(4)13(3)12(11)2)17(18,19)15-8-6-5-7-9-15;/h5-10H,18-19H2,1-4H3;1H
InChIKeyIBNAXEBJDLMZEX-UHFFFAOYSA-N
MW290.84 g/mol
LogP3.46
Rot. Bonds2

About phenyl-(2,3,4,5-tetramethylphenyl)methanediamine;hydrochloride

phenyl-(2,3,4,5-tetramethylphenyl)methanediamine;hydrochloride (PubChem CID 158650690) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is phenyl-(2,3,4,5-tetramethylphenyl)methanediamine;hydrochloride.

Molecular Properties

Compound Namephenyl-(2,3,4,5-tetramethylphenyl)methanediamine;hydrochloride
PubChem CID158650690
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC Namephenyl-(2,3,4,5-tetramethylphenyl)methanediamine;hydrochloride
SMILESCc1cc(C(N)(N)c2ccccc2)c(C)c(C)c1C.Cl
InChIInChI=1S/C17H22N2.ClH/c1-11-10-16(14(4)13(3)12(11)2)17(18,19)15-8-6-5-7-9-15;/h5-10H,18-19H2,1-4H3;1H
InChIKeyIBNAXEBJDLMZEX-UHFFFAOYSA-N
XLogP3.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl-(2,3,4,5-tetramethylphenyl)methanediamine;hydrochloride?
The IUPAC name of phenyl-(2,3,4,5-tetramethylphenyl)methanediamine;hydrochloride (CID 158650690) is phenyl-(2,3,4,5-tetramethylphenyl)methanediamine;hydrochloride.
What is the SMILES notation for phenyl-(2,3,4,5-tetramethylphenyl)methanediamine;hydrochloride?
The canonical SMILES for phenyl-(2,3,4,5-tetramethylphenyl)methanediamine;hydrochloride is Cc1cc(C(N)(N)c2ccccc2)c(C)c(C)c1C.Cl.
What is the InChIKey of phenyl-(2,3,4,5-tetramethylphenyl)methanediamine;hydrochloride?
The InChIKey is IBNAXEBJDLMZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2.ClH/c1-11-10-16(14(4)13(3)12(11)2)17(18,19)15-8-6-5-7-9-15;/h5-10H,18-19H2,1-4H3;1H.
What are the key properties of phenyl-(2,3,4,5-tetramethylphenyl)methanediamine;hydrochloride?
phenyl-(2,3,4,5-tetramethylphenyl)methanediamine;hydrochloride has a molecular weight of 290.84 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2,3,4,5-tetramethylphenyl)methanediamine;hydrochloride is sourced from PubChem (CID 158650690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).