2-fluoro-N,N-dimethyl-4-propylaniline

C11H16FN — CID 89112656

IUPAC2-fluoro-N,N-dimethyl-4-propylaniline
SMILESCCCc1ccc(N(C)C)c(F)c1
InChIInChI=1S/C11H16FN/c1-4-5-9-6-7-11(13(2)3)10(12)8-9/h6-8H,4-5H2,1-3H3
InChIKeyTXNGZWRXIHCGFG-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.84
Rot. Bonds3

About 2-fluoro-N,N-dimethyl-4-propylaniline

2-fluoro-N,N-dimethyl-4-propylaniline (PubChem CID 89112656) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethyl-4-propylaniline.

Molecular Properties

Compound Name2-fluoro-N,N-dimethyl-4-propylaniline
PubChem CID89112656
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name2-fluoro-N,N-dimethyl-4-propylaniline
SMILESCCCc1ccc(N(C)C)c(F)c1
InChIInChI=1S/C11H16FN/c1-4-5-9-6-7-11(13(2)3)10(12)8-9/h6-8H,4-5H2,1-3H3
InChIKeyTXNGZWRXIHCGFG-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(chloromethyl)-2-fluoro-N,N-dimethylaniline;hydrochloride
CID 22072566
1,2-difluoro-4-propylbenzene;methane
CID 160697343
1-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol
CID 117287208
2-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1,3-diethylguanidine;hydroiodide
CID 110926018
[4-(dimethylamino)-3-fluorophenyl]methanesulfonyl chloride
CID 84707494
4-(2-aminoethyl)-2-fluoro-N-methyl-N-pentan-3-ylaniline
CID 55236964
1-amino-3-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol
CID 83442489
4-(2-aminoethyl)-N,N-dibutyl-2-fluoroaniline
CID 63784071
2-fluoro-4-propylbenzamide
CID 175786906
2-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1-propylguanidine
CID 111087369
N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1,2,4-triazol-4-amine
CID 167752399
[3-fluoro-4-[methyl(propyl)amino]phenyl]methanol
CID 43271461

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethyl-4-propylaniline?
The IUPAC name of 2-fluoro-N,N-dimethyl-4-propylaniline (CID 89112656) is 2-fluoro-N,N-dimethyl-4-propylaniline.
What is the SMILES notation for 2-fluoro-N,N-dimethyl-4-propylaniline?
The canonical SMILES for 2-fluoro-N,N-dimethyl-4-propylaniline is CCCc1ccc(N(C)C)c(F)c1.
What is the InChIKey of 2-fluoro-N,N-dimethyl-4-propylaniline?
The InChIKey is TXNGZWRXIHCGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-4-5-9-6-7-11(13(2)3)10(12)8-9/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-fluoro-N,N-dimethyl-4-propylaniline?
2-fluoro-N,N-dimethyl-4-propylaniline has a molecular weight of 181.25 g/mol, XLogP of 2.84, 3 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-4-propylaniline is sourced from PubChem (CID 89112656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).