N-[1-[4-(3,6-dihydro-2H-pyridin-1-yl)-3-fluorophenyl]ethyl]propan-1-amine

C16H23FN2 — CID 114410288

IUPACN-[1-[4-(3,6-dihydro-2H-pyridin-1-yl)-3-fluorophenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(N2CC=CCC2)c(F)c1
InChIInChI=1S/C16H23FN2/c1-3-9-18-13(2)14-7-8-16(15(17)12-14)19-10-5-4-6-11-19/h4-5,7-8,12-13,18H,3,6,9-11H2,1-2H3
InChIKeyBOUBDLWXPNHJIE-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.65
Rot. Bonds5

About N-[1-[4-(3,6-dihydro-2H-pyridin-1-yl)-3-fluorophenyl]ethyl]propan-1-amine

N-[1-[4-(3,6-dihydro-2H-pyridin-1-yl)-3-fluorophenyl]ethyl]propan-1-amine (PubChem CID 114410288) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[1-[4-(3,6-dihydro-2H-pyridin-1-yl)-3-fluorophenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-(3,6-dihydro-2H-pyridin-1-yl)-3-fluorophenyl]ethyl]propan-1-amine
PubChem CID114410288
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC NameN-[1-[4-(3,6-dihydro-2H-pyridin-1-yl)-3-fluorophenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(N2CC=CCC2)c(F)c1
InChIInChI=1S/C16H23FN2/c1-3-9-18-13(2)14-7-8-16(15(17)12-14)19-10-5-4-6-11-19/h4-5,7-8,12-13,18H,3,6,9-11H2,1-2H3
InChIKeyBOUBDLWXPNHJIE-UHFFFAOYSA-N
XLogP3.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine
CID 29080194
N-[(1S)-1-[4-(azepan-1-yl)-3-fluorophenyl]ethyl]propan-1-amine
CID 29080205
1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol
CID 106669966
N-[1-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 43284028
N-[1-[3-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethyl]propan-1-amine
CID 64598754
1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]-3-methylpyrrolidin-3-ol
CID 103356559
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]pentan-1-amine
CID 29064023
N-[(1S)-1-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylbutan-1-amine
CID 28963934
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
N-[1-(3-bromo-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine
CID 55130910
1-[4-(1,3-dihydroisoindol-2-yl)-3-fluorophenyl]-N-ethylethanamine
CID 62205579
2-[[(1R)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]amino]ethanol
CID 29038908

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3,6-dihydro-2H-pyridin-1-yl)-3-fluorophenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-(3,6-dihydro-2H-pyridin-1-yl)-3-fluorophenyl]ethyl]propan-1-amine (CID 114410288) is N-[1-[4-(3,6-dihydro-2H-pyridin-1-yl)-3-fluorophenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-(3,6-dihydro-2H-pyridin-1-yl)-3-fluorophenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-(3,6-dihydro-2H-pyridin-1-yl)-3-fluorophenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(N2CC=CCC2)c(F)c1.
What is the InChIKey of N-[1-[4-(3,6-dihydro-2H-pyridin-1-yl)-3-fluorophenyl]ethyl]propan-1-amine?
The InChIKey is BOUBDLWXPNHJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-3-9-18-13(2)14-7-8-16(15(17)12-14)19-10-5-4-6-11-19/h4-5,7-8,12-13,18H,3,6,9-11H2,1-2H3.
What are the key properties of N-[1-[4-(3,6-dihydro-2H-pyridin-1-yl)-3-fluorophenyl]ethyl]propan-1-amine?
N-[1-[4-(3,6-dihydro-2H-pyridin-1-yl)-3-fluorophenyl]ethyl]propan-1-amine has a molecular weight of 262.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3,6-dihydro-2H-pyridin-1-yl)-3-fluorophenyl]ethyl]propan-1-amine is sourced from PubChem (CID 114410288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).