1-(3-fluoro-4-pentan-3-ylphenyl)ethanamine

C13H20FN — CID 83834604

IUPAC1-(3-fluoro-4-pentan-3-ylphenyl)ethanamine
SMILESCCC(CC)c1ccc(C(C)N)cc1F
InChIInChI=1S/C13H20FN/c1-4-10(5-2)12-7-6-11(9(3)15)8-13(12)14/h6-10H,4-5,15H2,1-3H3
InChIKeyHHMPBETVYWNEDC-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.75
Rot. Bonds4

About 1-(3-fluoro-4-pentan-3-ylphenyl)ethanamine

1-(3-fluoro-4-pentan-3-ylphenyl)ethanamine (PubChem CID 83834604) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-pentan-3-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-pentan-3-ylphenyl)ethanamine
PubChem CID83834604
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name1-(3-fluoro-4-pentan-3-ylphenyl)ethanamine
SMILESCCC(CC)c1ccc(C(C)N)cc1F
InChIInChI=1S/C13H20FN/c1-4-10(5-2)12-7-6-11(9(3)15)8-13(12)14/h6-10H,4-5,15H2,1-3H3
InChIKeyHHMPBETVYWNEDC-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluoro-4-pentan-3-ylphenyl)propan-1-amine
CID 117320877
1-(4-pentan-3-ylphenyl)ethanamine
CID 83829968
(1S)-1-[4-(difluoromethyl)-2-fluorophenyl]propan-1-amine
CID 131406912
1-(2-fluoro-4-propan-2-ylphenyl)ethanamine
CID 131378718
1-[1-(3-fluoro-4-pentan-3-ylphenyl)cyclopropyl]ethanamine
CID 117377665
1-[3-(difluoromethyl)-4-fluorophenyl]ethanamine
CID 55271873
2-fluoro-1-pentan-3-yl-4-(trifluoromethyl)benzene
CID 162605330
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline
CID 63368247
4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline
CID 43265907
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
(1R)-1-[4-(2-butan-2-ylphenoxy)-3-fluorophenyl]ethanamine
CID 63369801
4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(2-methylbutyl)aniline
CID 79477852

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pentan-3-ylphenyl)ethanamine?
The IUPAC name of 1-(3-fluoro-4-pentan-3-ylphenyl)ethanamine (CID 83834604) is 1-(3-fluoro-4-pentan-3-ylphenyl)ethanamine.
What is the SMILES notation for 1-(3-fluoro-4-pentan-3-ylphenyl)ethanamine?
The canonical SMILES for 1-(3-fluoro-4-pentan-3-ylphenyl)ethanamine is CCC(CC)c1ccc(C(C)N)cc1F.
What is the InChIKey of 1-(3-fluoro-4-pentan-3-ylphenyl)ethanamine?
The InChIKey is HHMPBETVYWNEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-4-10(5-2)12-7-6-11(9(3)15)8-13(12)14/h6-10H,4-5,15H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-pentan-3-ylphenyl)ethanamine?
1-(3-fluoro-4-pentan-3-ylphenyl)ethanamine has a molecular weight of 209.31 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pentan-3-ylphenyl)ethanamine is sourced from PubChem (CID 83834604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).