[4-[(2,4,6-trichlorophenoxy)methyl]phenyl]methanamine

C14H12Cl3NO — CID 22688679

IUPAC[4-[(2,4,6-trichlorophenoxy)methyl]phenyl]methanamine
SMILESNCc1ccc(COc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H12Cl3NO/c15-11-5-12(16)14(13(17)6-11)19-8-10-3-1-9(7-18)2-4-10/h1-6H,7-8,18H2
InChIKeyFDXDMYCUPZIDGE-UHFFFAOYSA-N
MW316.62 g/mol
LogP4.68
Rot. Bonds4

About [4-[(2,4,6-trichlorophenoxy)methyl]phenyl]methanamine

[4-[(2,4,6-trichlorophenoxy)methyl]phenyl]methanamine (PubChem CID 22688679) has the molecular formula C14H12Cl3NO and a molecular weight of 316.62 g/mol. Its IUPAC name is [4-[(2,4,6-trichlorophenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(2,4,6-trichlorophenoxy)methyl]phenyl]methanamine
PubChem CID22688679
Molecular FormulaC14H12Cl3NO
Molecular Weight316.62 g/mol
Exact Mass315.00
IUPAC Name[4-[(2,4,6-trichlorophenoxy)methyl]phenyl]methanamine
SMILESNCc1ccc(COc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H12Cl3NO/c15-11-5-12(16)14(13(17)6-11)19-8-10-3-1-9(7-18)2-4-10/h1-6H,7-8,18H2
InChIKeyFDXDMYCUPZIDGE-UHFFFAOYSA-N
XLogP4.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.62
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine
CID 22688669
4-[(2-bromo-4,6-dichlorophenoxy)methyl]aniline
CID 22688171
[3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037818
[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanamine
CID 20988973
1,5-dichloro-2-[[4-[(2,4-dichloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene
CID 59551589
[4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 63880371
3-[(2,4,6-trichlorophenoxy)methyl]benzenecarbothioamide
CID 29005520
(NZ)-N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 99968453
2-fluoro-5-[(2,4,6-trichlorophenoxy)methyl]benzenecarbothioamide
CID 107879842
[3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]phenyl]methanamine
CID 107305827
1-(bromomethyl)-3,5-dichloro-2-[(4-ethylphenyl)methoxy]benzene
CID 63535878
2-[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]ethanamine
CID 105350387

Frequently Asked Questions

What is the IUPAC name of [4-[(2,4,6-trichlorophenoxy)methyl]phenyl]methanamine?
The IUPAC name of [4-[(2,4,6-trichlorophenoxy)methyl]phenyl]methanamine (CID 22688679) is [4-[(2,4,6-trichlorophenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [4-[(2,4,6-trichlorophenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [4-[(2,4,6-trichlorophenoxy)methyl]phenyl]methanamine is NCc1ccc(COc2c(Cl)cc(Cl)cc2Cl)cc1.
What is the InChIKey of [4-[(2,4,6-trichlorophenoxy)methyl]phenyl]methanamine?
The InChIKey is FDXDMYCUPZIDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO/c15-11-5-12(16)14(13(17)6-11)19-8-10-3-1-9(7-18)2-4-10/h1-6H,7-8,18H2.
What are the key properties of [4-[(2,4,6-trichlorophenoxy)methyl]phenyl]methanamine?
[4-[(2,4,6-trichlorophenoxy)methyl]phenyl]methanamine has a molecular weight of 316.62 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,4,6-trichlorophenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 22688679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).