N-[1-(3-fluorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine

C13H17FN2 — CID 79508036

IUPACN-[1-(3-fluorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC(NC1=NCCCC1)c1cccc(F)c1
InChIInChI=1S/C13H17FN2/c1-10(11-5-4-6-12(14)9-11)16-13-7-2-3-8-15-13/h4-6,9-10H,2-3,7-8H2,1H3,(H,15,16)
InChIKeyILPZPJOZVRKQBS-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.06
Rot. Bonds2

About N-[1-(3-fluorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine

N-[1-(3-fluorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 79508036) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID79508036
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC(NC1=NCCCC1)c1cccc(F)c1
InChIInChI=1S/C13H17FN2/c1-10(11-5-4-6-12(14)9-11)16-13-7-2-3-8-15-13/h4-6,9-10H,2-3,7-8H2,1H3,(H,15,16)
InChIKeyILPZPJOZVRKQBS-UHFFFAOYSA-N
XLogP3.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3-methylphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 81361412
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 81347228
N-[1-(3-bromophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79508130
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
N-[(1S)-1-thiophen-2-ylethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 81408564
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
N-[(1S)-1-pyridin-2-ylethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 81401524
N-[1-(3-fluorophenyl)ethyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113376397
1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea
CID 47015065
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine
CID 62342660
6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine
CID 58869935
1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376525

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine (CID 79508036) is N-[1-(3-fluorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine is CC(NC1=NCCCC1)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is ILPZPJOZVRKQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-10(11-5-4-6-12(14)9-11)16-13-7-2-3-8-15-13/h4-6,9-10H,2-3,7-8H2,1H3,(H,15,16).
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
N-[1-(3-fluorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 220.29 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 79508036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).