2-methylaniline;dihydrochloride

C7H11Cl2N — CID 23331471

IUPAC2-methylaniline;dihydrochloride
SMILESCc1ccccc1N.Cl.Cl
InChIInChI=1S/C7H9N.2ClH/c1-6-4-2-3-5-7(6)8;;/h2-5H,8H2,1H3;2*1H
InChIKeyLTQUYHOGYCOTIT-UHFFFAOYSA-N
MW180.08 g/mol
LogP2.42
Rot. Bonds

About 2-methylaniline;dihydrochloride

2-methylaniline;dihydrochloride (PubChem CID 23331471) has the molecular formula C7H11Cl2N and a molecular weight of 180.08 g/mol. Its IUPAC name is 2-methylaniline;dihydrochloride.

Molecular Properties

Compound Name2-methylaniline;dihydrochloride
PubChem CID23331471
Molecular FormulaC7H11Cl2N
Molecular Weight180.08 g/mol
Exact Mass179.03
IUPAC Name2-methylaniline;dihydrochloride
SMILESCc1ccccc1N.Cl.Cl
InChIInChI=1S/C7H9N.2ClH/c1-6-4-2-3-5-7(6)8;;/h2-5H,8H2,1H3;2*1H
InChIKeyLTQUYHOGYCOTIT-UHFFFAOYSA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.08
LogP ≤ 52.42
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

CID 175394275
CID 175394275
CID 67897123
CID 67897123
CID 159002136
CID 159002136
tris(2-methylaniline);phosphane
CID 158408493
ethane;methanamine;2-methylaniline
CID 91356397
deuteriomethane;2-methylaniline
CID 90744870
N,N-dimethylmethanamine;2-methylaniline
CID 174412120
2-methylaniline;2-methylpropane
CID 91027920
bis(2-methylaniline);propane
CID 158079245
ethane;2-methylaniline;propane
CID 144801075
2,6-dimethylaniline;2-methylaniline
CID 160714609
acetaldehyde;ethane;2-methylaniline
CID 144857558

Frequently Asked Questions

What is the IUPAC name of 2-methylaniline;dihydrochloride?
The IUPAC name of 2-methylaniline;dihydrochloride (CID 23331471) is 2-methylaniline;dihydrochloride.
What is the SMILES notation for 2-methylaniline;dihydrochloride?
The canonical SMILES for 2-methylaniline;dihydrochloride is Cc1ccccc1N.Cl.Cl.
What is the InChIKey of 2-methylaniline;dihydrochloride?
The InChIKey is LTQUYHOGYCOTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.2ClH/c1-6-4-2-3-5-7(6)8;;/h2-5H,8H2,1H3;2*1H.
What are the key properties of 2-methylaniline;dihydrochloride?
2-methylaniline;dihydrochloride has a molecular weight of 180.08 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylaniline;dihydrochloride is sourced from PubChem (CID 23331471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).