4-[amino-(2,3-difluoro-4-methylphenyl)methyl]-N,N-dimethylaniline

C16H18F2N2 — CID 107515261

IUPAC4-[amino-(2,3-difluoro-4-methylphenyl)methyl]-N,N-dimethylaniline
SMILESCc1ccc(C(N)c2ccc(N(C)C)cc2)c(F)c1F
InChIInChI=1S/C16H18F2N2/c1-10-4-9-13(15(18)14(10)17)16(19)11-5-7-12(8-6-11)20(2)3/h4-9,16H,19H2,1-3H3
InChIKeyMBQIPBLVRSGLMC-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.39
Rot. Bonds3

About 4-[amino-(2,3-difluoro-4-methylphenyl)methyl]-N,N-dimethylaniline

4-[amino-(2,3-difluoro-4-methylphenyl)methyl]-N,N-dimethylaniline (PubChem CID 107515261) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 4-[amino-(2,3-difluoro-4-methylphenyl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[amino-(2,3-difluoro-4-methylphenyl)methyl]-N,N-dimethylaniline
PubChem CID107515261
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name4-[amino-(2,3-difluoro-4-methylphenyl)methyl]-N,N-dimethylaniline
SMILESCc1ccc(C(N)c2ccc(N(C)C)cc2)c(F)c1F
InChIInChI=1S/C16H18F2N2/c1-10-4-9-13(15(18)14(10)17)16(19)11-5-7-12(8-6-11)20(2)3/h4-9,16H,19H2,1-3H3
InChIKeyMBQIPBLVRSGLMC-UHFFFAOYSA-N
XLogP3.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[amino-(2-methoxy-3,4-dimethylphenyl)methyl]-N,N-dimethylaniline
CID 103435266
4-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline
CID 105143249
(2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine
CID 107515958
4-[amino-(5-bromo-2-fluorophenyl)methyl]-N,N-dimethylaniline
CID 105167442
(2,3-difluoro-4-methylphenyl)-[3-(dimethylamino)phenyl]methanol
CID 107516253
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
4-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylaniline
CID 105377477
N,N-dimethyl-4-[methylamino-(2,3,4-trifluorophenyl)methyl]aniline
CID 105146542
(4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513337
(2,3-difluoro-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 107515381
(4-ethylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 62963946

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(2,3-difluoro-4-methylphenyl)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[amino-(2,3-difluoro-4-methylphenyl)methyl]-N,N-dimethylaniline (CID 107515261) is 4-[amino-(2,3-difluoro-4-methylphenyl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[amino-(2,3-difluoro-4-methylphenyl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[amino-(2,3-difluoro-4-methylphenyl)methyl]-N,N-dimethylaniline is Cc1ccc(C(N)c2ccc(N(C)C)cc2)c(F)c1F.
What is the InChIKey of 4-[amino-(2,3-difluoro-4-methylphenyl)methyl]-N,N-dimethylaniline?
The InChIKey is MBQIPBLVRSGLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-10-4-9-13(15(18)14(10)17)16(19)11-5-7-12(8-6-11)20(2)3/h4-9,16H,19H2,1-3H3.
What are the key properties of 4-[amino-(2,3-difluoro-4-methylphenyl)methyl]-N,N-dimethylaniline?
4-[amino-(2,3-difluoro-4-methylphenyl)methyl]-N,N-dimethylaniline has a molecular weight of 276.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(2,3-difluoro-4-methylphenyl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 107515261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).