2,3,4,5,6-pentamethylaniline;hydrochloride

C11H18ClN — CID 139747221

IUPAC2,3,4,5,6-pentamethylaniline;hydrochloride
SMILESCc1c(C)c(C)c(N)c(C)c1C.Cl
InChIInChI=1S/C11H17N.ClH/c1-6-7(2)9(4)11(12)10(5)8(6)3;/h12H2,1-5H3;1H
InChIKeyHXZMUVROQCCIMW-UHFFFAOYSA-N
MW199.72 g/mol
LogP3.23
Rot. Bonds

About 2,3,4,5,6-pentamethylaniline;hydrochloride

2,3,4,5,6-pentamethylaniline;hydrochloride (PubChem CID 139747221) has the molecular formula C11H18ClN and a molecular weight of 199.72 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethylaniline;hydrochloride.

Molecular Properties

Compound Name2,3,4,5,6-pentamethylaniline;hydrochloride
PubChem CID139747221
Molecular FormulaC11H18ClN
Molecular Weight199.72 g/mol
Exact Mass199.11
IUPAC Name2,3,4,5,6-pentamethylaniline;hydrochloride
SMILESCc1c(C)c(C)c(N)c(C)c1C.Cl
InChIInChI=1S/C11H17N.ClH/c1-6-7(2)9(4)11(12)10(5)8(6)3;/h12H2,1-5H3;1H
InChIKeyHXZMUVROQCCIMW-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.72
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2,3,5,6-tetramethylaniline
CID 3456097
2,3,5-trimethylbenzene-1,4-diamine;hydrochloride
CID 87071564
1,3,4-trimethylnaphthalen-2-amine
CID 68501802
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CID 163738273
2,3,5,6-tetramethyl-4-N,4-N-bis(trimethylsilyl)benzene-1,4-diamine
CID 101399310
1,2,3,4,5,6-hexamethylbenzene;methane
CID 159570864
ethane;1,2,3,4,5,6-hexamethylbenzene
CID 144963527
bis(1,2,3,4,5,6-hexamethylbenzene);iron
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4-(4-aminophenyl)-2,3,5,6-tetramethylaniline;hydrate
CID 175596524

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethylaniline;hydrochloride?
The IUPAC name of 2,3,4,5,6-pentamethylaniline;hydrochloride (CID 139747221) is 2,3,4,5,6-pentamethylaniline;hydrochloride.
What is the SMILES notation for 2,3,4,5,6-pentamethylaniline;hydrochloride?
The canonical SMILES for 2,3,4,5,6-pentamethylaniline;hydrochloride is Cc1c(C)c(C)c(N)c(C)c1C.Cl.
What is the InChIKey of 2,3,4,5,6-pentamethylaniline;hydrochloride?
The InChIKey is HXZMUVROQCCIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.ClH/c1-6-7(2)9(4)11(12)10(5)8(6)3;/h12H2,1-5H3;1H.
What are the key properties of 2,3,4,5,6-pentamethylaniline;hydrochloride?
2,3,4,5,6-pentamethylaniline;hydrochloride has a molecular weight of 199.72 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethylaniline;hydrochloride is sourced from PubChem (CID 139747221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).