4-fluoro-N-methyl-N-propylaniline

C10H14FN — CID 23197529

IUPAC4-fluoro-N-methyl-N-propylaniline
SMILESCCCN(C)c1ccc(F)cc1
InChIInChI=1S/C10H14FN/c1-3-8-12(2)10-6-4-9(11)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyJAQFDWMELSMIQP-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.67
Rot. Bonds3

About 4-fluoro-N-methyl-N-propylaniline

4-fluoro-N-methyl-N-propylaniline (PubChem CID 23197529) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-propylaniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-propylaniline
PubChem CID23197529
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name4-fluoro-N-methyl-N-propylaniline
SMILESCCCN(C)c1ccc(F)cc1
InChIInChI=1S/C10H14FN/c1-3-8-12(2)10-6-4-9(11)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyJAQFDWMELSMIQP-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

N-butyl-4-fluoro-N-methylaniline
CID 70573878
N,4-dimethyl-N-propylaniline
CID 14671247
4-fluoro-N-methyl-N-(3-methylidenepentyl)aniline
CID 134579409
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
4-(4-fluoro-N-methylanilino)butanenitrile
CID 60965381
N'-(4-fluorophenyl)-N',2,2-trimethylbutane-1,4-diamine
CID 65247212
N',1-bis(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645224
N,N-dibutyl-4-fluoroaniline
CID 15399711
1-fluoro-4-methylbenzene;N-methyl-N-propylpropan-1-amine
CID 143556008
N-methyl-4-(methylaminomethyl)-N-propylaniline
CID 43281892
N'-(4-fluorophenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine
CID 63503917
N-(2-butoxyethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 62555568

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-propylaniline?
The IUPAC name of 4-fluoro-N-methyl-N-propylaniline (CID 23197529) is 4-fluoro-N-methyl-N-propylaniline.
What is the SMILES notation for 4-fluoro-N-methyl-N-propylaniline?
The canonical SMILES for 4-fluoro-N-methyl-N-propylaniline is CCCN(C)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-propylaniline?
The InChIKey is JAQFDWMELSMIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-3-8-12(2)10-6-4-9(11)5-7-10/h4-7H,3,8H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-N-propylaniline?
4-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 4-fluoro-N-methyl-N-propylaniline is sourced from PubChem (CID 23197529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).