1-[1-(3-fluoro-4-pentan-3-ylphenyl)cyclopropyl]ethanamine

C16H24FN — CID 117377665

IUPAC1-[1-(3-fluoro-4-pentan-3-ylphenyl)cyclopropyl]ethanamine
SMILESCCC(CC)c1ccc(C2(C(C)N)CC2)cc1F
InChIInChI=1S/C16H24FN/c1-4-12(5-2)14-7-6-13(10-15(14)17)16(8-9-16)11(3)18/h6-7,10-12H,4-5,8-9,18H2,1-3H3
InChIKeyFCODRZZEVDIFKN-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.11
Rot. Bonds5

About 1-[1-(3-fluoro-4-pentan-3-ylphenyl)cyclopropyl]ethanamine

1-[1-(3-fluoro-4-pentan-3-ylphenyl)cyclopropyl]ethanamine (PubChem CID 117377665) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 1-[1-(3-fluoro-4-pentan-3-ylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-fluoro-4-pentan-3-ylphenyl)cyclopropyl]ethanamine
PubChem CID117377665
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name1-[1-(3-fluoro-4-pentan-3-ylphenyl)cyclopropyl]ethanamine
SMILESCCC(CC)c1ccc(C2(C(C)N)CC2)cc1F
InChIInChI=1S/C16H24FN/c1-4-12(5-2)14-7-6-13(10-15(14)17)16(8-9-16)11(3)18/h6-7,10-12H,4-5,8-9,18H2,1-3H3
InChIKeyFCODRZZEVDIFKN-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(4-chloro-3-fluorophenyl)cyclopropyl]ethanamine
CID 83689421
1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine
CID 117046693
4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol
CID 117285258
1-[1-(4-cyclopropyl-3-fluorophenyl)cyclopropyl]ethanamine
CID 117312921
1-(3-fluoro-4-pentan-3-ylphenyl)ethanamine
CID 83834604
5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-N,N-dimethylaniline
CID 117118391
1-(3-fluoro-4-pentan-3-ylphenyl)cyclopentane-1-carboxylic acid
CID 117446490
5-[1-(1-aminoethyl)cyclopropyl]-2-(hydroxymethyl)phenol
CID 117296045
1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine
CID 117459786
5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
CID 117301518
1-[1-[4-(2-fluoroethyl)phenyl]cyclopropyl]ethanamine
CID 117296645
1-[1-(3-methoxy-4-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117339161

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-4-pentan-3-ylphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(3-fluoro-4-pentan-3-ylphenyl)cyclopropyl]ethanamine (CID 117377665) is 1-[1-(3-fluoro-4-pentan-3-ylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(3-fluoro-4-pentan-3-ylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(3-fluoro-4-pentan-3-ylphenyl)cyclopropyl]ethanamine is CCC(CC)c1ccc(C2(C(C)N)CC2)cc1F.
What is the InChIKey of 1-[1-(3-fluoro-4-pentan-3-ylphenyl)cyclopropyl]ethanamine?
The InChIKey is FCODRZZEVDIFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-4-12(5-2)14-7-6-13(10-15(14)17)16(8-9-16)11(3)18/h6-7,10-12H,4-5,8-9,18H2,1-3H3.
What are the key properties of 1-[1-(3-fluoro-4-pentan-3-ylphenyl)cyclopropyl]ethanamine?
1-[1-(3-fluoro-4-pentan-3-ylphenyl)cyclopropyl]ethanamine has a molecular weight of 249.37 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoro-4-pentan-3-ylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117377665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).