2-(4-aminobutan-2-yl)-3-fluoro-N,N-dimethylaniline

C12H19FN2 — CID 117300770

IUPAC2-(4-aminobutan-2-yl)-3-fluoro-N,N-dimethylaniline
SMILESCC(CCN)c1c(F)cccc1N(C)C
InChIInChI=1S/C12H19FN2/c1-9(7-8-14)12-10(13)5-4-6-11(12)15(2)3/h4-6,9H,7-8,14H2,1-3H3
InChIKeySGRNJFAMXFWIMA-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.34
Rot. Bonds4

About 2-(4-aminobutan-2-yl)-3-fluoro-N,N-dimethylaniline

2-(4-aminobutan-2-yl)-3-fluoro-N,N-dimethylaniline (PubChem CID 117300770) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-(4-aminobutan-2-yl)-3-fluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(4-aminobutan-2-yl)-3-fluoro-N,N-dimethylaniline
PubChem CID117300770
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name2-(4-aminobutan-2-yl)-3-fluoro-N,N-dimethylaniline
SMILESCC(CCN)c1c(F)cccc1N(C)C
InChIInChI=1S/C12H19FN2/c1-9(7-8-14)12-10(13)5-4-6-11(12)15(2)3/h4-6,9H,7-8,14H2,1-3H3
InChIKeySGRNJFAMXFWIMA-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromobutan-2-yl)-1,3-difluorobenzene
CID 83925329
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CID 83925324
4-(2-chloro-6-fluorophenyl)pentan-1-amine
CID 83925264
2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-pentan-3-ylaniline
CID 63369402
2-(2-fluoro-6-methylphenyl)propan-1-amine
CID 84765270
2-butan-2-yl-1,3-difluorobenzene
CID 56605716
CID 67343265
CID 67343265
2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol
CID 117409448
2-N-[1-(2,6-difluorophenyl)ethyl]propane-1,2-diamine
CID 103389171
1-(2,6-difluorophenyl)-2-[methyl(2-methylbutyl)amino]ethanol
CID 111113593
(1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171223663
2-[5-(4-aminobutan-2-yl)-2-chlorophenyl]-N,N-dimethylaniline
CID 110447549

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-yl)-3-fluoro-N,N-dimethylaniline?
The IUPAC name of 2-(4-aminobutan-2-yl)-3-fluoro-N,N-dimethylaniline (CID 117300770) is 2-(4-aminobutan-2-yl)-3-fluoro-N,N-dimethylaniline.
What is the SMILES notation for 2-(4-aminobutan-2-yl)-3-fluoro-N,N-dimethylaniline?
The canonical SMILES for 2-(4-aminobutan-2-yl)-3-fluoro-N,N-dimethylaniline is CC(CCN)c1c(F)cccc1N(C)C.
What is the InChIKey of 2-(4-aminobutan-2-yl)-3-fluoro-N,N-dimethylaniline?
The InChIKey is SGRNJFAMXFWIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-9(7-8-14)12-10(13)5-4-6-11(12)15(2)3/h4-6,9H,7-8,14H2,1-3H3.
What are the key properties of 2-(4-aminobutan-2-yl)-3-fluoro-N,N-dimethylaniline?
2-(4-aminobutan-2-yl)-3-fluoro-N,N-dimethylaniline has a molecular weight of 210.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutan-2-yl)-3-fluoro-N,N-dimethylaniline is sourced from PubChem (CID 117300770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).