3-fluoro-N,N-dimethyl-4-propan-2-ylaniline

C11H16FN — CID 83381571

IUPAC3-fluoro-N,N-dimethyl-4-propan-2-ylaniline
SMILESCC(C)c1ccc(N(C)C)cc1F
InChIInChI=1S/C11H16FN/c1-8(2)10-6-5-9(13(3)4)7-11(10)12/h5-8H,1-4H3
InChIKeyNJKXXYDRWCRBKQ-UHFFFAOYSA-N
MW181.25 g/mol
LogP3.02
Rot. Bonds2

About 3-fluoro-N,N-dimethyl-4-propan-2-ylaniline

3-fluoro-N,N-dimethyl-4-propan-2-ylaniline (PubChem CID 83381571) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 3-fluoro-N,N-dimethyl-4-propan-2-ylaniline.

Molecular Properties

Compound Name3-fluoro-N,N-dimethyl-4-propan-2-ylaniline
PubChem CID83381571
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name3-fluoro-N,N-dimethyl-4-propan-2-ylaniline
SMILESCC(C)c1ccc(N(C)C)cc1F
InChIInChI=1S/C11H16FN/c1-8(2)10-6-5-9(13(3)4)7-11(10)12/h5-8H,1-4H3
InChIKeyNJKXXYDRWCRBKQ-UHFFFAOYSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-aminoethyl)-3-fluoro-N,N-dimethylaniline
CID 83383940
2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene
CID 58823318
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
4-(difluoromethyl)-2-fluoro-1-propan-2-ylbenzene
CID 139295380
(3-fluoro-4-propan-2-ylphenyl)-trimethylsilane
CID 59596566
(1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol
CID 171600588
4-(aminomethyl)-3-fluoro-N,N-dimethylaniline
CID 83383786
N,N-diethyl-3-fluoro-4-propan-2-ylbenzamide
CID 167035620
1-N-[1-(2,4-difluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376255
1-(3-fluoro-4-propan-2-ylphenyl)piperidine
CID 167149955
2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)-1-propan-2-ylbenzene
CID 169111339
4-chloro-2-fluoro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;ethane
CID 166121933

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-dimethyl-4-propan-2-ylaniline?
The IUPAC name of 3-fluoro-N,N-dimethyl-4-propan-2-ylaniline (CID 83381571) is 3-fluoro-N,N-dimethyl-4-propan-2-ylaniline.
What is the SMILES notation for 3-fluoro-N,N-dimethyl-4-propan-2-ylaniline?
The canonical SMILES for 3-fluoro-N,N-dimethyl-4-propan-2-ylaniline is CC(C)c1ccc(N(C)C)cc1F.
What is the InChIKey of 3-fluoro-N,N-dimethyl-4-propan-2-ylaniline?
The InChIKey is NJKXXYDRWCRBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-8(2)10-6-5-9(13(3)4)7-11(10)12/h5-8H,1-4H3.
What are the key properties of 3-fluoro-N,N-dimethyl-4-propan-2-ylaniline?
3-fluoro-N,N-dimethyl-4-propan-2-ylaniline has a molecular weight of 181.25 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-dimethyl-4-propan-2-ylaniline is sourced from PubChem (CID 83381571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).