5-ethyl-2-fluoro-N-methyl-N-propylaniline;propane

C15H26FN — CID 142359986

IUPAC5-ethyl-2-fluoro-N-methyl-N-propylaniline;propane
SMILESCCC.CCCN(C)c1cc(CC)ccc1F
InChIInChI=1S/C12H18FN.C3H8/c1-4-8-14(3)12-9-10(5-2)6-7-11(12)13;1-3-2/h6-7,9H,4-5,8H2,1-3H3;3H2,1-2H3
InChIKeyAHJZMBNJMIORDO-UHFFFAOYSA-N
MW239.38 g/mol
LogP4.65
Rot. Bonds4

About 5-ethyl-2-fluoro-N-methyl-N-propylaniline;propane

5-ethyl-2-fluoro-N-methyl-N-propylaniline;propane (PubChem CID 142359986) has the molecular formula C15H26FN and a molecular weight of 239.38 g/mol. Its IUPAC name is 5-ethyl-2-fluoro-N-methyl-N-propylaniline;propane.

Molecular Properties

Compound Name5-ethyl-2-fluoro-N-methyl-N-propylaniline;propane
PubChem CID142359986
Molecular FormulaC15H26FN
Molecular Weight239.38 g/mol
Exact Mass239.20
IUPAC Name5-ethyl-2-fluoro-N-methyl-N-propylaniline;propane
SMILESCCC.CCCN(C)c1cc(CC)ccc1F
InChIInChI=1S/C12H18FN.C3H8/c1-4-8-14(3)12-9-10(5-2)6-7-11(12)13;1-3-2/h6-7,9H,4-5,8H2,1-3H3;3H2,1-2H3
InChIKeyAHJZMBNJMIORDO-UHFFFAOYSA-N
XLogP4.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-methyl-N-propylaniline
CID 67818828
N-(5-ethyl-2-fluorophenyl)-N-methylacetamide
CID 150244406
[3-fluoro-4-[methyl(propyl)amino]phenyl]methanol
CID 43271461
N-butyl-2-fluoro-N-methyl-5-[(prop-2-enylamino)methyl]aniline
CID 84753849
3-[[4-fluoro-3-[methyl-[2-(methylamino)ethyl]amino]phenyl]methyl-propylamino]propanoic acid
CID 84753223
5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline
CID 84753347
2-fluoro-5-[(propan-2-ylamino)methyl]-N,N-dipropylaniline
CID 84753345
5-chloro-N-ethyl-2-fluoro-N-methylaniline
CID 115259333
4-[2-[[4-fluoro-3-[2-hydroxyethyl(methyl)amino]phenyl]methylamino]ethyl]phenol
CID 84746988
(1R)-1-[3-fluoro-4-[methyl(propyl)amino]phenyl]ethanol
CID 63370676
5-ethyl-2-fluoroaniline
CID 10630567
2,4-diethyl-1-fluorobenzene;ethane
CID 143588111

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-fluoro-N-methyl-N-propylaniline;propane?
The IUPAC name of 5-ethyl-2-fluoro-N-methyl-N-propylaniline;propane (CID 142359986) is 5-ethyl-2-fluoro-N-methyl-N-propylaniline;propane.
What is the SMILES notation for 5-ethyl-2-fluoro-N-methyl-N-propylaniline;propane?
The canonical SMILES for 5-ethyl-2-fluoro-N-methyl-N-propylaniline;propane is CCC.CCCN(C)c1cc(CC)ccc1F.
What is the InChIKey of 5-ethyl-2-fluoro-N-methyl-N-propylaniline;propane?
The InChIKey is AHJZMBNJMIORDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN.C3H8/c1-4-8-14(3)12-9-10(5-2)6-7-11(12)13;1-3-2/h6-7,9H,4-5,8H2,1-3H3;3H2,1-2H3.
What are the key properties of 5-ethyl-2-fluoro-N-methyl-N-propylaniline;propane?
5-ethyl-2-fluoro-N-methyl-N-propylaniline;propane has a molecular weight of 239.38 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-fluoro-N-methyl-N-propylaniline;propane is sourced from PubChem (CID 142359986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).