bis(2,4,6-trichlorophenyl)methanamine

C13H7Cl6N — CID 139635169

IUPACbis(2,4,6-trichlorophenyl)methanamine
SMILESNC(c1c(Cl)cc(Cl)cc1Cl)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl6N/c14-5-1-7(16)11(8(17)2-5)13(20)12-9(18)3-6(15)4-10(12)19/h1-4,13H,20H2
InChIKeyDTPUOYAJOFEFBG-UHFFFAOYSA-N
MW389.92 g/mol
LogP6.66
Rot. Bonds2

About bis(2,4,6-trichlorophenyl)methanamine

bis(2,4,6-trichlorophenyl)methanamine (PubChem CID 139635169) has the molecular formula C13H7Cl6N and a molecular weight of 389.92 g/mol. Its IUPAC name is bis(2,4,6-trichlorophenyl)methanamine.

Molecular Properties

Compound Namebis(2,4,6-trichlorophenyl)methanamine
PubChem CID139635169
Molecular FormulaC13H7Cl6N
Molecular Weight389.92 g/mol
Exact Mass386.87
IUPAC Namebis(2,4,6-trichlorophenyl)methanamine
SMILESNC(c1c(Cl)cc(Cl)cc1Cl)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl6N/c14-5-1-7(16)11(8(17)2-5)13(20)12-9(18)3-6(15)4-10(12)19/h1-4,13H,20H2
InChIKeyDTPUOYAJOFEFBG-UHFFFAOYSA-N
XLogP6.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.92
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2,4,6-trichlorophenyl)prop-2-en-1-amine
CID 130699448
3,5-dichlorobenzene-1,2-diamine;dihydrochloride
CID 17385558
(2S)-2-amino-2-(2,4-dichloro-6-hydroxyphenyl)acetic acid
CID 66512891
2-[(1S,2R)-1-amino-2-hydroxypropyl]-3,5-dichlorophenol
CID 131173726
(2,6-dichlorophenyl)-(2,4,6-trimethylphenyl)methanamine
CID 43102640
(2,6-dichlorophenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43103917
(1R)-2,2-difluoro-1-(2,3,5-trichlorophenyl)ethanamine
CID 130975304
(1S)-1-(2,3,5-trichlorophenyl)ethanamine;hydrochloride
CID 171233500
1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethanamine
CID 62499233
1,5-dichloro-2-(difluoromethyl)-3-fluorobenzene
CID 119004483
(1S)-2,2-difluoro-1-(2,3,5-trichlorophenyl)ethanamine;hydrochloride
CID 171251000
(2,6-dichlorophenyl)-(2,5-difluorophenyl)methanamine
CID 43197833

Frequently Asked Questions

What is the IUPAC name of bis(2,4,6-trichlorophenyl)methanamine?
The IUPAC name of bis(2,4,6-trichlorophenyl)methanamine (CID 139635169) is bis(2,4,6-trichlorophenyl)methanamine.
What is the SMILES notation for bis(2,4,6-trichlorophenyl)methanamine?
The canonical SMILES for bis(2,4,6-trichlorophenyl)methanamine is NC(c1c(Cl)cc(Cl)cc1Cl)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of bis(2,4,6-trichlorophenyl)methanamine?
The InChIKey is DTPUOYAJOFEFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl6N/c14-5-1-7(16)11(8(17)2-5)13(20)12-9(18)3-6(15)4-10(12)19/h1-4,13H,20H2.
What are the key properties of bis(2,4,6-trichlorophenyl)methanamine?
bis(2,4,6-trichlorophenyl)methanamine has a molecular weight of 389.92 g/mol, XLogP of 6.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4,6-trichlorophenyl)methanamine is sourced from PubChem (CID 139635169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).