2-tert-butyl-5-fluoro-N,N-dimethylaniline

C12H18FN — CID 153310692

IUPAC2-tert-butyl-5-fluoro-N,N-dimethylaniline
SMILESCN(C)c1cc(F)ccc1C(C)(C)C
InChIInChI=1S/C12H18FN/c1-12(2,3)10-7-6-9(13)8-11(10)14(4)5/h6-8H,1-5H3
InChIKeyXEMOCDXMPDVIRK-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.19
Rot. Bonds1

About 2-tert-butyl-5-fluoro-N,N-dimethylaniline

2-tert-butyl-5-fluoro-N,N-dimethylaniline (PubChem CID 153310692) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 2-tert-butyl-5-fluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name2-tert-butyl-5-fluoro-N,N-dimethylaniline
PubChem CID153310692
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name2-tert-butyl-5-fluoro-N,N-dimethylaniline
SMILESCN(C)c1cc(F)ccc1C(C)(C)C
InChIInChI=1S/C12H18FN/c1-12(2,3)10-7-6-9(13)8-11(10)14(4)5/h6-8H,1-5H3
InChIKeyXEMOCDXMPDVIRK-UHFFFAOYSA-N
XLogP3.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-tert-butyl-5-fluorophenyl)-N-methylmethanesulfonamide
CID 171399333
2-tert-butyl-N,N-dimethylaniline;ethane
CID 161110367
1-tert-butyl-4-fluoro-2-isocyanobenzene
CID 59701587
(2-tert-butyl-5-fluorophenyl)boronic acid
CID 174006795
2-[2-(dimethylamino)-4-fluorophenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
CID 91151476
2-(aminomethyl)-5-fluoro-N,N-dimethylaniline
CID 117110792
5-fluoro-N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]aniline
CID 118801806
2-(2-tert-butyl-5-fluorophenyl)acetonitrile
CID 59139819
2-tert-butyl-4-fluoro-1-methylsulfonylbenzene
CID 129167909
3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine
CID 97301750
3-(2-tert-butyl-5-fluorophenyl)-N,N-diethylpropan-1-amine
CID 58048830
3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine;dihydrochloride
CID 131637048

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-fluoro-N,N-dimethylaniline?
The IUPAC name of 2-tert-butyl-5-fluoro-N,N-dimethylaniline (CID 153310692) is 2-tert-butyl-5-fluoro-N,N-dimethylaniline.
What is the SMILES notation for 2-tert-butyl-5-fluoro-N,N-dimethylaniline?
The canonical SMILES for 2-tert-butyl-5-fluoro-N,N-dimethylaniline is CN(C)c1cc(F)ccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-5-fluoro-N,N-dimethylaniline?
The InChIKey is XEMOCDXMPDVIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-12(2,3)10-7-6-9(13)8-11(10)14(4)5/h6-8H,1-5H3.
What are the key properties of 2-tert-butyl-5-fluoro-N,N-dimethylaniline?
2-tert-butyl-5-fluoro-N,N-dimethylaniline has a molecular weight of 195.28 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-fluoro-N,N-dimethylaniline is sourced from PubChem (CID 153310692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).