(2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine

C14H11Cl2F2N — CID 105027044

IUPAC(2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2c(Cl)cccc2Cl)c1F
InChIInChI=1S/C14H11Cl2F2N/c1-7-5-6-10(17)12(13(7)18)14(19)11-8(15)3-2-4-9(11)16/h2-6,14H,19H2,1H3
InChIKeyCGPHHPDFTAOKFT-UHFFFAOYSA-N
MW302.15 g/mol
LogP4.63
Rot. Bonds2

About (2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine

(2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine (PubChem CID 105027044) has the molecular formula C14H11Cl2F2N and a molecular weight of 302.15 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
PubChem CID105027044
Molecular FormulaC14H11Cl2F2N
Molecular Weight302.15 g/mol
Exact Mass301.02
IUPAC Name(2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2c(Cl)cccc2Cl)c1F
InChIInChI=1S/C14H11Cl2F2N/c1-7-5-6-10(17)12(13(7)18)14(19)11-8(15)3-2-4-9(11)16/h2-6,14H,19H2,1H3
InChIKeyCGPHHPDFTAOKFT-UHFFFAOYSA-N
XLogP4.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
(3-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822372
(3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822542
(2-chloro-6-fluorophenyl)-(2-methylphenyl)methanamine
CID 82087273
(2,6-dichlorophenyl)-(2,4,6-trimethylphenyl)methanamine
CID 43102640
(2,6-dichlorophenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43103917
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 55283283
2-(2-chlorophenyl)sulfanyl-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 82822306
(5-bromo-4-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82814808
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
CID 55272041
(2,6-dichlorophenyl)-(3,4-dimethylphenyl)methanamine
CID 43149184

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine?
The IUPAC name of (2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine (CID 105027044) is (2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine.
What is the SMILES notation for (2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine?
The canonical SMILES for (2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine is Cc1ccc(F)c(C(N)c2c(Cl)cccc2Cl)c1F.
What is the InChIKey of (2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine?
The InChIKey is CGPHHPDFTAOKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2N/c1-7-5-6-10(17)12(13(7)18)14(19)11-8(15)3-2-4-9(11)16/h2-6,14H,19H2,1H3.
What are the key properties of (2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine?
(2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine has a molecular weight of 302.15 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 105027044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).