1-(3-ethyl-4-fluorophenyl)propan-2-amine

C11H16FN — CID 117278913

IUPAC1-(3-ethyl-4-fluorophenyl)propan-2-amine
SMILESCCc1cc(CC(C)N)ccc1F
InChIInChI=1S/C11H16FN/c1-3-10-7-9(6-8(2)13)4-5-11(10)12/h4-5,7-8H,3,6,13H2,1-2H3
InChIKeyWRLYRXSHRSYBIA-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.28
Rot. Bonds3

About 1-(3-ethyl-4-fluorophenyl)propan-2-amine

1-(3-ethyl-4-fluorophenyl)propan-2-amine (PubChem CID 117278913) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 1-(3-ethyl-4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-4-fluorophenyl)propan-2-amine
PubChem CID117278913
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name1-(3-ethyl-4-fluorophenyl)propan-2-amine
SMILESCCc1cc(CC(C)N)ccc1F
InChIInChI=1S/C11H16FN/c1-3-10-7-9(6-8(2)13)4-5-11(10)12/h4-5,7-8H,3,6,13H2,1-2H3
InChIKeyWRLYRXSHRSYBIA-UHFFFAOYSA-N
XLogP2.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-(3,4-diethylphenyl)propan-2-amine
CID 139743643
5-[(2R)-2-aminopropyl]-2-(18F)fluoro(18F)phenol
CID 67474806
2,4-diethyl-1-fluorobenzene;ethane
CID 143588111
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine
CID 117307518
1-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-2-amine
CID 170891288
1-(4-chlorophenyl)propan-2-amine
CID 3127
1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-amine
CID 117291412
1-(2-fluoro-5-propan-2-ylphenyl)propan-2-amine
CID 117285738
1-[4-(2-ethylphenoxy)-3,5-difluorophenyl]propan-2-amine
CID 63802310
1-(3,5-diethylphenyl)propan-2-amine
CID 89151749
2-ethyl-1,4-difluorobenzene
CID 23202513

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(3-ethyl-4-fluorophenyl)propan-2-amine (CID 117278913) is 1-(3-ethyl-4-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(3-ethyl-4-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(3-ethyl-4-fluorophenyl)propan-2-amine is CCc1cc(CC(C)N)ccc1F.
What is the InChIKey of 1-(3-ethyl-4-fluorophenyl)propan-2-amine?
The InChIKey is WRLYRXSHRSYBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-3-10-7-9(6-8(2)13)4-5-11(10)12/h4-5,7-8H,3,6,13H2,1-2H3.
What are the key properties of 1-(3-ethyl-4-fluorophenyl)propan-2-amine?
1-(3-ethyl-4-fluorophenyl)propan-2-amine has a molecular weight of 181.25 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 117278913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).