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

C16H19FN2 — CID 105142950

IUPAC3-[amino-(4-fluoro-3-methylphenyl)methyl]-N,N-dimethylaniline
SMILESCc1cc(C(N)c2cccc(N(C)C)c2)ccc1F
InChIInChI=1S/C16H19FN2/c1-11-9-13(7-8-15(11)17)16(18)12-5-4-6-14(10-12)19(2)3/h4-10,16H,18H2,1-3H3
InChIKeyBTZHZALIACSYQB-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.25
Rot. Bonds3

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

3-[amino-(4-fluoro-3-methylphenyl)methyl]-N,N-dimethylaniline (PubChem CID 105142950) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-[amino-(4-fluoro-3-methylphenyl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[amino-(4-fluoro-3-methylphenyl)methyl]-N,N-dimethylaniline
PubChem CID105142950
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name3-[amino-(4-fluoro-3-methylphenyl)methyl]-N,N-dimethylaniline
SMILESCc1cc(C(N)c2cccc(N(C)C)c2)ccc1F
InChIInChI=1S/C16H19FN2/c1-11-9-13(7-8-15(11)17)16(18)12-5-4-6-14(10-12)19(2)3/h4-10,16H,18H2,1-3H3
InChIKeyBTZHZALIACSYQB-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

3-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylaniline
CID 105141994
3-[amino-(3-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline
CID 105169951
3-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-dimethylaniline
CID 105146180
(4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62789476
[3-(dimethylamino)phenyl]-(3-fluoro-4-methylphenyl)methanol
CID 107130688
(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 114025071
(4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79747463
(4,5-dimethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 114248943
3-[amino-(4-cyclobutylphenyl)methyl]-N,N-dimethylaniline
CID 105185231
3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride
CID 53484765
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346
3-[amino(quinolin-7-yl)methyl]-N,N-dimethylaniline
CID 105172596

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(4-fluoro-3-methylphenyl)methyl]-N,N-dimethylaniline?
The IUPAC name of 3-[amino-(4-fluoro-3-methylphenyl)methyl]-N,N-dimethylaniline (CID 105142950) is 3-[amino-(4-fluoro-3-methylphenyl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[amino-(4-fluoro-3-methylphenyl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[amino-(4-fluoro-3-methylphenyl)methyl]-N,N-dimethylaniline is Cc1cc(C(N)c2cccc(N(C)C)c2)ccc1F.
What is the InChIKey of 3-[amino-(4-fluoro-3-methylphenyl)methyl]-N,N-dimethylaniline?
The InChIKey is BTZHZALIACSYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-11-9-13(7-8-15(11)17)16(18)12-5-4-6-14(10-12)19(2)3/h4-10,16H,18H2,1-3H3.
What are the key properties of 3-[amino-(4-fluoro-3-methylphenyl)methyl]-N,N-dimethylaniline?
3-[amino-(4-fluoro-3-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 3-[amino-(4-fluoro-3-methylphenyl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105142950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).