2-fluoro-N-methyl-N-propylaniline

C10H14FN — CID 67818828

IUPAC2-fluoro-N-methyl-N-propylaniline
SMILESCCCN(C)c1ccccc1F
InChIInChI=1S/C10H14FN/c1-3-8-12(2)10-7-5-4-6-9(10)11/h4-7H,3,8H2,1-2H3
InChIKeySHIBYJNGOAWKFG-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.67
Rot. Bonds3

About 2-fluoro-N-methyl-N-propylaniline

2-fluoro-N-methyl-N-propylaniline (PubChem CID 67818828) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-propylaniline.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-propylaniline
PubChem CID67818828
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name2-fluoro-N-methyl-N-propylaniline
SMILESCCCN(C)c1ccccc1F
InChIInChI=1S/C10H14FN/c1-3-8-12(2)10-7-5-4-6-9(10)11/h4-7H,3,8H2,1-2H3
InChIKeySHIBYJNGOAWKFG-UHFFFAOYSA-N
XLogP2.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-N-butyl-1-N,2-N-dimethyl-1-N-propylbenzene-1,2-diamine
CID 142020233
N,2-dimethyl-N-propylaniline
CID 69435269
3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol
CID 62629313
2-methoxy-N-methyl-N-propylaniline
CID 23198488
5-ethyl-2-fluoro-N-methyl-N-propylaniline;propane
CID 142359986
[3-fluoro-4-[methyl(propyl)amino]phenyl]methanol
CID 43271461
1-[3-(2-fluoro-N-methylanilino)propyl]-2-propylguanidine
CID 111077591
2-[(2-fluoro-N-methylanilino)methyl]butan-1-ol
CID 115250709
(1R)-1-[3-fluoro-4-[methyl(propyl)amino]phenyl]ethanol
CID 63370676
ethane;N-methyl-2-(2-methylpropyl)-N-propylaniline
CID 144845826
2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline
CID 78936089
3-fluoro-N-methyl-N-propylpyridin-2-amine
CID 131175805

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-propylaniline?
The IUPAC name of 2-fluoro-N-methyl-N-propylaniline (CID 67818828) is 2-fluoro-N-methyl-N-propylaniline.
What is the SMILES notation for 2-fluoro-N-methyl-N-propylaniline?
The canonical SMILES for 2-fluoro-N-methyl-N-propylaniline is CCCN(C)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-methyl-N-propylaniline?
The InChIKey is SHIBYJNGOAWKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-3-8-12(2)10-7-5-4-6-9(10)11/h4-7H,3,8H2,1-2H3.
What are the key properties of 2-fluoro-N-methyl-N-propylaniline?
2-fluoro-N-methyl-N-propylaniline has a molecular weight of 167.23 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-propylaniline is sourced from PubChem (CID 67818828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).