1-(2,4-dichloro-6-methylphenyl)-N-methylmethanamine

C9H11Cl2N — CID 18721638

IUPAC1-(2,4-dichloro-6-methylphenyl)-N-methylmethanamine
SMILESCNCc1c(C)cc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2N/c1-6-3-7(10)4-9(11)8(6)5-12-2/h3-4,12H,5H2,1-2H3
InChIKeyBULDYFHUONOLNV-UHFFFAOYSA-N
MW204.10 g/mol
LogP3.02
Rot. Bonds2

About 1-(2,4-dichloro-6-methylphenyl)-N-methylmethanamine

1-(2,4-dichloro-6-methylphenyl)-N-methylmethanamine (PubChem CID 18721638) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is 1-(2,4-dichloro-6-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,4-dichloro-6-methylphenyl)-N-methylmethanamine
PubChem CID18721638
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Name1-(2,4-dichloro-6-methylphenyl)-N-methylmethanamine
SMILESCNCc1c(C)cc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2N/c1-6-3-7(10)4-9(11)8(6)5-12-2/h3-4,12H,5H2,1-2H3
InChIKeyBULDYFHUONOLNV-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-6-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,4-dichloro-6-methylphenyl)-N-methylmethanamine (CID 18721638) is 1-(2,4-dichloro-6-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,4-dichloro-6-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,4-dichloro-6-methylphenyl)-N-methylmethanamine is CNCc1c(C)cc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-6-methylphenyl)-N-methylmethanamine?
The InChIKey is BULDYFHUONOLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N/c1-6-3-7(10)4-9(11)8(6)5-12-2/h3-4,12H,5H2,1-2H3.
What are the key properties of 1-(2,4-dichloro-6-methylphenyl)-N-methylmethanamine?
1-(2,4-dichloro-6-methylphenyl)-N-methylmethanamine has a molecular weight of 204.10 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-6-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 18721638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).