3-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylaniline

C15H16F2N2 — CID 105141994

IUPAC3-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(N)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C15H16F2N2/c1-19(2)14-5-3-4-10(8-14)15(18)11-6-12(16)9-13(17)7-11/h3-9,15H,18H2,1-2H3
InChIKeyZFQQBVWMJUPYCL-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.08
Rot. Bonds3

About 3-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylaniline

3-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylaniline (PubChem CID 105141994) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 3-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylaniline
PubChem CID105141994
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name3-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(N)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C15H16F2N2/c1-19(2)14-5-3-4-10(8-14)15(18)11-6-12(16)9-13(17)7-11/h3-9,15H,18H2,1-2H3
InChIKeyZFQQBVWMJUPYCL-UHFFFAOYSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[amino-(3-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline
CID 105169951
3-[amino-(4-fluoro-3-methylphenyl)methyl]-N,N-dimethylaniline
CID 105142950
3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride
CID 53484765
3-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-dimethylaniline
CID 105146180
3-[amino-(4-cyclobutylphenyl)methyl]-N,N-dimethylaniline
CID 105185231
3-[(4-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline
CID 105284037
3-[amino(quinolin-7-yl)methyl]-N,N-dimethylaniline
CID 105172596
3-[1-amino-2-(2-chloro-6-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105105636
(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine
CID 66423670
3-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylaniline
CID 105150495
(2R)-2-amino-2-[3-(dimethylamino)phenyl]ethanol;dihydrochloride
CID 146049704
3-fluoro-N,N-dimethylaniline;methane
CID 157466440

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylaniline?
The IUPAC name of 3-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylaniline (CID 105141994) is 3-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylaniline is CN(C)c1cccc(C(N)c2cc(F)cc(F)c2)c1.
What is the InChIKey of 3-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylaniline?
The InChIKey is ZFQQBVWMJUPYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-19(2)14-5-3-4-10(8-14)15(18)11-6-12(16)9-13(17)7-11/h3-9,15H,18H2,1-2H3.
What are the key properties of 3-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylaniline?
3-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylaniline has a molecular weight of 262.30 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105141994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).