4-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline

C16H19FN2 — CID 105143249

IUPAC4-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline
SMILESCc1ccc(F)c(C(N)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C16H19FN2/c1-11-4-9-15(17)14(10-11)16(18)12-5-7-13(8-6-12)19(2)3/h4-10,16H,18H2,1-3H3
InChIKeyBGJVQBVYTWYFMI-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.25
Rot. Bonds3

About 4-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline

4-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline (PubChem CID 105143249) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline
PubChem CID105143249
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name4-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline
SMILESCc1ccc(F)c(C(N)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C16H19FN2/c1-11-4-9-15(17)14(10-11)16(18)12-5-7-13(8-6-12)19(2)3/h4-10,16H,18H2,1-3H3
InChIKeyBGJVQBVYTWYFMI-UHFFFAOYSA-N
XLogP3.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[amino-(5-bromo-2-fluorophenyl)methyl]-N,N-dimethylaniline
CID 105167442
(2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62514124
(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62515674
4-[amino-(2,3-difluoro-4-methylphenyl)methyl]-N,N-dimethylaniline
CID 107515261
(3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514449
(3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62789986
(2-fluoro-5-methylphenyl)-(3-iodophenyl)methanamine
CID 115852651
(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 62515845
(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115852670
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
(3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 114019265

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline (CID 105143249) is 4-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline is Cc1ccc(F)c(C(N)c2ccc(N(C)C)cc2)c1.
What is the InChIKey of 4-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline?
The InChIKey is BGJVQBVYTWYFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-11-4-9-15(17)14(10-11)16(18)12-5-7-13(8-6-12)19(2)3/h4-10,16H,18H2,1-3H3.
What are the key properties of 4-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline?
4-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline has a molecular weight of 258.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105143249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).