2-fluoro-N-methyl-6-propan-2-ylaniline

C10H14FN — CID 22769648

IUPAC2-fluoro-N-methyl-6-propan-2-ylaniline
SMILESCNc1c(F)cccc1C(C)C
InChIInChI=1S/C10H14FN/c1-7(2)8-5-4-6-9(11)10(8)12-3/h4-7,12H,1-3H3
InChIKeyBAGOAMKLJWRBAN-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.99
Rot. Bonds2

About 2-fluoro-N-methyl-6-propan-2-ylaniline

2-fluoro-N-methyl-6-propan-2-ylaniline (PubChem CID 22769648) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-fluoro-N-methyl-6-propan-2-ylaniline.

Molecular Properties

Compound Name2-fluoro-N-methyl-6-propan-2-ylaniline
PubChem CID22769648
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name2-fluoro-N-methyl-6-propan-2-ylaniline
SMILESCNc1c(F)cccc1C(C)C
InChIInChI=1S/C10H14FN/c1-7(2)8-5-4-6-9(11)10(8)12-3/h4-7,12H,1-3H3
InChIKeyBAGOAMKLJWRBAN-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-6-propan-2-ylaniline?
The IUPAC name of 2-fluoro-N-methyl-6-propan-2-ylaniline (CID 22769648) is 2-fluoro-N-methyl-6-propan-2-ylaniline.
What is the SMILES notation for 2-fluoro-N-methyl-6-propan-2-ylaniline?
The canonical SMILES for 2-fluoro-N-methyl-6-propan-2-ylaniline is CNc1c(F)cccc1C(C)C.
What is the InChIKey of 2-fluoro-N-methyl-6-propan-2-ylaniline?
The InChIKey is BAGOAMKLJWRBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-7(2)8-5-4-6-9(11)10(8)12-3/h4-7,12H,1-3H3.
What are the key properties of 2-fluoro-N-methyl-6-propan-2-ylaniline?
2-fluoro-N-methyl-6-propan-2-ylaniline has a molecular weight of 167.23 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-6-propan-2-ylaniline is sourced from PubChem (CID 22769648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).