(2,4-dichloro-6-methylphenyl)methanamine

C8H9Cl2N — CID 2800971

IUPAC(2,4-dichloro-6-methylphenyl)methanamine
SMILESCc1cc(Cl)cc(Cl)c1CN
InChIInChI=1S/C8H9Cl2N/c1-5-2-6(9)3-8(10)7(5)4-11/h2-3H,4,11H2,1H3
InChIKeyQISTWSMZJRTDCS-UHFFFAOYSA-N
MW190.07 g/mol
LogP2.76
Rot. Bonds1

About (2,4-dichloro-6-methylphenyl)methanamine

(2,4-dichloro-6-methylphenyl)methanamine (PubChem CID 2800971) has the molecular formula C8H9Cl2N and a molecular weight of 190.07 g/mol. Its IUPAC name is (2,4-dichloro-6-methylphenyl)methanamine.

Molecular Properties

Compound Name(2,4-dichloro-6-methylphenyl)methanamine
PubChem CID2800971
Molecular FormulaC8H9Cl2N
Molecular Weight190.07 g/mol
Exact Mass189.01
IUPAC Name(2,4-dichloro-6-methylphenyl)methanamine
SMILESCc1cc(Cl)cc(Cl)c1CN
InChIInChI=1S/C8H9Cl2N/c1-5-2-6(9)3-8(10)7(5)4-11/h2-3H,4,11H2,1H3
InChIKeyQISTWSMZJRTDCS-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-6-methylphenyl)methanamine?
The IUPAC name of (2,4-dichloro-6-methylphenyl)methanamine (CID 2800971) is (2,4-dichloro-6-methylphenyl)methanamine.
What is the SMILES notation for (2,4-dichloro-6-methylphenyl)methanamine?
The canonical SMILES for (2,4-dichloro-6-methylphenyl)methanamine is Cc1cc(Cl)cc(Cl)c1CN.
What is the InChIKey of (2,4-dichloro-6-methylphenyl)methanamine?
The InChIKey is QISTWSMZJRTDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N/c1-5-2-6(9)3-8(10)7(5)4-11/h2-3H,4,11H2,1H3.
What are the key properties of (2,4-dichloro-6-methylphenyl)methanamine?
(2,4-dichloro-6-methylphenyl)methanamine has a molecular weight of 190.07 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-6-methylphenyl)methanamine is sourced from PubChem (CID 2800971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).