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

C15H13F4N — CID 105027229

IUPACbis(2,6-difluoro-3-methylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2c(F)ccc(C)c2F)c1F
InChIInChI=1S/C15H13F4N/c1-7-3-5-9(16)11(13(7)18)15(20)12-10(17)6-4-8(2)14(12)19/h3-6,15H,20H2,1-2H3
InChIKeyRNVVIWKPOZECGI-UHFFFAOYSA-N
MW283.27 g/mol
LogP3.91
Rot. Bonds2

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

bis(2,6-difluoro-3-methylphenyl)methanamine (PubChem CID 105027229) has the molecular formula C15H13F4N and a molecular weight of 283.27 g/mol. Its IUPAC name is bis(2,6-difluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Namebis(2,6-difluoro-3-methylphenyl)methanamine
PubChem CID105027229
Molecular FormulaC15H13F4N
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Namebis(2,6-difluoro-3-methylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2c(F)ccc(C)c2F)c1F
InChIInChI=1S/C15H13F4N/c1-7-3-5-9(16)11(13(7)18)15(20)12-10(17)6-4-8(2)14(12)19/h3-6,15H,20H2,1-2H3
InChIKeyRNVVIWKPOZECGI-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze bis(2,6-difluoro-3-methylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 105027044
1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 55283283
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
CID 55272041
(2,6-difluoro-3-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852896
(2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methanamine
CID 82815162
(1S)-1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171249742
(2,6-difluoro-3-methylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105175854
(3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822542
(3-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822372
(2,6-difluoro-3-methylphenyl)-(3,5-dimethoxyphenyl)methanamine
CID 105013679
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 82822647
(4-bromo-3-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 105027240

Frequently Asked Questions

What is the IUPAC name of bis(2,6-difluoro-3-methylphenyl)methanamine?
The IUPAC name of bis(2,6-difluoro-3-methylphenyl)methanamine (CID 105027229) is bis(2,6-difluoro-3-methylphenyl)methanamine.
What is the SMILES notation for bis(2,6-difluoro-3-methylphenyl)methanamine?
The canonical SMILES for bis(2,6-difluoro-3-methylphenyl)methanamine is Cc1ccc(F)c(C(N)c2c(F)ccc(C)c2F)c1F.
What is the InChIKey of bis(2,6-difluoro-3-methylphenyl)methanamine?
The InChIKey is RNVVIWKPOZECGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N/c1-7-3-5-9(16)11(13(7)18)15(20)12-10(17)6-4-8(2)14(12)19/h3-6,15H,20H2,1-2H3.
What are the key properties of bis(2,6-difluoro-3-methylphenyl)methanamine?
bis(2,6-difluoro-3-methylphenyl)methanamine has a molecular weight of 283.27 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-difluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 105027229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).