1-(2-chlorophenyl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine

C14H11Cl4N — CID 43234562

IUPAC1-(2-chlorophenyl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine
SMILESClc1ccccc1CNCc1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C14H11Cl4N/c15-11-4-2-1-3-9(11)7-19-8-10-12(16)5-6-13(17)14(10)18/h1-6,19H,7-8H2
InChIKeyKUIKLXLQFBUOSJ-UHFFFAOYSA-N
MW335.06 g/mol
LogP5.59
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine

1-(2-chlorophenyl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine (PubChem CID 43234562) has the molecular formula C14H11Cl4N and a molecular weight of 335.06 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine
PubChem CID43234562
Molecular FormulaC14H11Cl4N
Molecular Weight335.06 g/mol
Exact Mass332.96
IUPAC Name1-(2-chlorophenyl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine
SMILESClc1ccccc1CNCc1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C14H11Cl4N/c15-11-4-2-1-3-9(11)7-19-8-10-12(16)5-6-13(17)14(10)18/h1-6,19H,7-8H2
InChIKeyKUIKLXLQFBUOSJ-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.06
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-N-[(2,4,5-trifluorophenyl)methyl]methanamine
CID 103792288
[(2-chlorophenyl)methylamino]methanethiol
CID 88942802
N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine
CID 16340
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine
CID 4715652
2-phenoxy-N-[(2,3,6-trichlorophenyl)methyl]ethanamine
CID 78943892
1-(2-chlorophenyl)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]methanamine
CID 43552155
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)methanamine
CID 106263103
N'-[(2,3,6-trichlorophenyl)methyl]butane-1,4-diamine
CID 115281252
2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol
CID 63323116
2,2-difluoro-N-[(2,3,6-trichlorophenyl)methyl]ethanamine
CID 115405634
N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)methanamine
CID 60658982
N-[(2-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 6459303

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine (CID 43234562) is 1-(2-chlorophenyl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine is Clc1ccccc1CNCc1c(Cl)ccc(Cl)c1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine?
The InChIKey is KUIKLXLQFBUOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl4N/c15-11-4-2-1-3-9(11)7-19-8-10-12(16)5-6-13(17)14(10)18/h1-6,19H,7-8H2.
What are the key properties of 1-(2-chlorophenyl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine?
1-(2-chlorophenyl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine has a molecular weight of 335.06 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(2,3,6-trichlorophenyl)methyl]methanamine is sourced from PubChem (CID 43234562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).