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

C8H9Cl4NO — CID 12761789

IUPAC(2,3,5-trichloro-6-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1c(Cl)cc(Cl)c(Cl)c1CN.Cl
InChIInChI=1S/C8H8Cl3NO.ClH/c1-13-8-4(3-12)7(11)5(9)2-6(8)10;/h2H,3,12H2,1H3;1H
InChIKeyULLIFOVGWWJPGR-UHFFFAOYSA-N
MW276.98 g/mol
LogP3.54
Rot. Bonds2

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

(2,3,5-trichloro-6-methoxyphenyl)methanamine;hydrochloride (PubChem CID 12761789) has the molecular formula C8H9Cl4NO and a molecular weight of 276.98 g/mol. Its IUPAC name is (2,3,5-trichloro-6-methoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2,3,5-trichloro-6-methoxyphenyl)methanamine;hydrochloride
PubChem CID12761789
Molecular FormulaC8H9Cl4NO
Molecular Weight276.98 g/mol
Exact Mass274.94
IUPAC Name(2,3,5-trichloro-6-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1c(Cl)cc(Cl)c(Cl)c1CN.Cl
InChIInChI=1S/C8H8Cl3NO.ClH/c1-13-8-4(3-12)7(11)5(9)2-6(8)10;/h2H,3,12H2,1H3;1H
InChIKeyULLIFOVGWWJPGR-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.98
LogP ≤ 53.54
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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Related Compounds

3-(aminomethyl)-2,5-dichloro-4-methoxyaniline
CID 23346999
(2,4,6-trichloro-3-methoxyphenyl)methanol
CID 164891467
tris(2,3,5-trichloro-6-methoxyphenyl)borane
CID 87743306
1,5-dichloro-2,4-dimethoxy-3-methylbenzene
CID 58961638
(5-chloro-2,3-difluoro-4-methoxyphenyl)methanamine
CID 84675684
O-[(3-chloro-2,5,6-trimethoxyphenyl)methyl]hydroxylamine
CID 117372417
4-(5-chloro-2,3-difluoro-6-methoxyphenyl)butan-1-amine
CID 117377894
2-(aminomethyl)-6-bromo-4-chloro-3,5-dimethoxyphenol;hydrochloride
CID 45259840
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361457
trimethyl-[3,4,6-trichloro-2-[(2,3,5-trichloro-6-trimethylsilyloxyphenyl)methyl]phenoxy]silane
CID 91696372
1-(2,5-dichloro-3-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 83897923
[2-chloro-4-methoxy-6-(trifluoromethyl)phenyl]methanamine
CID 171021002

Frequently Asked Questions

What is the IUPAC name of (2,3,5-trichloro-6-methoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (2,3,5-trichloro-6-methoxyphenyl)methanamine;hydrochloride (CID 12761789) is (2,3,5-trichloro-6-methoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (2,3,5-trichloro-6-methoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (2,3,5-trichloro-6-methoxyphenyl)methanamine;hydrochloride is COc1c(Cl)cc(Cl)c(Cl)c1CN.Cl.
What is the InChIKey of (2,3,5-trichloro-6-methoxyphenyl)methanamine;hydrochloride?
The InChIKey is ULLIFOVGWWJPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl3NO.ClH/c1-13-8-4(3-12)7(11)5(9)2-6(8)10;/h2H,3,12H2,1H3;1H.
What are the key properties of (2,3,5-trichloro-6-methoxyphenyl)methanamine;hydrochloride?
(2,3,5-trichloro-6-methoxyphenyl)methanamine;hydrochloride has a molecular weight of 276.98 g/mol, XLogP of 3.54, 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;hydrochloride is sourced from PubChem (CID 12761789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).