(2,3,5-trichloro-6-methoxyphenyl)methanamine

C8H8Cl3NO — CID 12761788

IUPAC(2,3,5-trichloro-6-methoxyphenyl)methanamine
SMILESCOc1c(Cl)cc(Cl)c(Cl)c1CN
InChIInChI=1S/C8H8Cl3NO/c1-13-8-4(3-12)7(11)5(9)2-6(8)10/h2H,3,12H2,1H3
InChIKeyUCWPCTPSDCFFKB-UHFFFAOYSA-N
MW240.52 g/mol
LogP3.11
Rot. Bonds2

About (2,3,5-trichloro-6-methoxyphenyl)methanamine

(2,3,5-trichloro-6-methoxyphenyl)methanamine (PubChem CID 12761788) has the molecular formula C8H8Cl3NO and a molecular weight of 240.52 g/mol. Its IUPAC name is (2,3,5-trichloro-6-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,3,5-trichloro-6-methoxyphenyl)methanamine
PubChem CID12761788
Molecular FormulaC8H8Cl3NO
Molecular Weight240.52 g/mol
Exact Mass238.97
IUPAC Name(2,3,5-trichloro-6-methoxyphenyl)methanamine
SMILESCOc1c(Cl)cc(Cl)c(Cl)c1CN
InChIInChI=1S/C8H8Cl3NO/c1-13-8-4(3-12)7(11)5(9)2-6(8)10/h2H,3,12H2,1H3
InChIKeyUCWPCTPSDCFFKB-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.52
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3,5-trichloro-6-methoxyphenyl)methanamine?
The IUPAC name of (2,3,5-trichloro-6-methoxyphenyl)methanamine (CID 12761788) is (2,3,5-trichloro-6-methoxyphenyl)methanamine.
What is the SMILES notation for (2,3,5-trichloro-6-methoxyphenyl)methanamine?
The canonical SMILES for (2,3,5-trichloro-6-methoxyphenyl)methanamine is COc1c(Cl)cc(Cl)c(Cl)c1CN.
What is the InChIKey of (2,3,5-trichloro-6-methoxyphenyl)methanamine?
The InChIKey is UCWPCTPSDCFFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl3NO/c1-13-8-4(3-12)7(11)5(9)2-6(8)10/h2H,3,12H2,1H3.
What are the key properties of (2,3,5-trichloro-6-methoxyphenyl)methanamine?
(2,3,5-trichloro-6-methoxyphenyl)methanamine has a molecular weight of 240.52 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,5-trichloro-6-methoxyphenyl)methanamine is sourced from PubChem (CID 12761788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).