2-fluoro-N,N-dimethyl-5-propan-2-ylaniline

C11H16FN — CID 134375648

IUPAC2-fluoro-N,N-dimethyl-5-propan-2-ylaniline
SMILESCC(C)c1ccc(F)c(N(C)C)c1
InChIInChI=1S/C11H16FN/c1-8(2)9-5-6-10(12)11(7-9)13(3)4/h5-8H,1-4H3
InChIKeyFMHBUPHLZNENFR-UHFFFAOYSA-N
MW181.25 g/mol
LogP3.02
Rot. Bonds2

About 2-fluoro-N,N-dimethyl-5-propan-2-ylaniline

2-fluoro-N,N-dimethyl-5-propan-2-ylaniline (PubChem CID 134375648) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethyl-5-propan-2-ylaniline.

Molecular Properties

Compound Name2-fluoro-N,N-dimethyl-5-propan-2-ylaniline
PubChem CID134375648
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name2-fluoro-N,N-dimethyl-5-propan-2-ylaniline
SMILESCC(C)c1ccc(F)c(N(C)C)c1
InChIInChI=1S/C11H16FN/c1-8(2)9-5-6-10(12)11(7-9)13(3)4/h5-8H,1-4H3
InChIKeyFMHBUPHLZNENFR-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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethyl-5-propan-2-ylaniline?
The IUPAC name of 2-fluoro-N,N-dimethyl-5-propan-2-ylaniline (CID 134375648) is 2-fluoro-N,N-dimethyl-5-propan-2-ylaniline.
What is the SMILES notation for 2-fluoro-N,N-dimethyl-5-propan-2-ylaniline?
The canonical SMILES for 2-fluoro-N,N-dimethyl-5-propan-2-ylaniline is CC(C)c1ccc(F)c(N(C)C)c1.
What is the InChIKey of 2-fluoro-N,N-dimethyl-5-propan-2-ylaniline?
The InChIKey is FMHBUPHLZNENFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-8(2)9-5-6-10(12)11(7-9)13(3)4/h5-8H,1-4H3.
What are the key properties of 2-fluoro-N,N-dimethyl-5-propan-2-ylaniline?
2-fluoro-N,N-dimethyl-5-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 2-fluoro-N,N-dimethyl-5-propan-2-ylaniline is sourced from PubChem (CID 134375648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).