N-[1-(2-fluorophenyl)propyl]pentan-3-amine

C14H22FN — CID 112631369

IUPACN-[1-(2-fluorophenyl)propyl]pentan-3-amine
SMILESCCC(CC)NC(CC)c1ccccc1F
InChIInChI=1S/C14H22FN/c1-4-11(5-2)16-14(6-3)12-9-7-8-10-13(12)15/h7-11,14,16H,4-6H2,1-3H3
InChIKeyWDYJMJQUIGLCOS-UHFFFAOYSA-N
MW223.34 g/mol
LogP4.05
Rot. Bonds6

About N-[1-(2-fluorophenyl)propyl]pentan-3-amine

N-[1-(2-fluorophenyl)propyl]pentan-3-amine (PubChem CID 112631369) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)propyl]pentan-3-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)propyl]pentan-3-amine
PubChem CID112631369
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC NameN-[1-(2-fluorophenyl)propyl]pentan-3-amine
SMILESCCC(CC)NC(CC)c1ccccc1F
InChIInChI=1S/C14H22FN/c1-4-11(5-2)16-14(6-3)12-9-7-8-10-13(12)15/h7-11,14,16H,4-6H2,1-3H3
InChIKeyWDYJMJQUIGLCOS-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
(2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol
CID 103948350
1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine
CID 112632384
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
N-(1-ethoxypropan-2-yl)-1-(2-fluorophenyl)propan-1-amine
CID 112633052
N-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994193
N-[1-(2-fluorophenyl)propyl]pyrrol-1-amine
CID 112677047
1-(2-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 114167905
1-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine
CID 103949479
3-[1-(2-fluorophenyl)propylamino]-4-methylpentan-1-ol
CID 103948533
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81380238
1-(2-fluorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 112631399

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)propyl]pentan-3-amine?
The IUPAC name of N-[1-(2-fluorophenyl)propyl]pentan-3-amine (CID 112631369) is N-[1-(2-fluorophenyl)propyl]pentan-3-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)propyl]pentan-3-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)propyl]pentan-3-amine is CCC(CC)NC(CC)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)propyl]pentan-3-amine?
The InChIKey is WDYJMJQUIGLCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-4-11(5-2)16-14(6-3)12-9-7-8-10-13(12)15/h7-11,14,16H,4-6H2,1-3H3.
What are the key properties of N-[1-(2-fluorophenyl)propyl]pentan-3-amine?
N-[1-(2-fluorophenyl)propyl]pentan-3-amine has a molecular weight of 223.34 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)propyl]pentan-3-amine is sourced from PubChem (CID 112631369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).