4-(4-fluorophenyl)-2-pyrrolidin-1-ylhex-1-en-3-amine

C16H23FN2 — CID 89160583

IUPAC4-(4-fluorophenyl)-2-pyrrolidin-1-ylhex-1-en-3-amine
SMILESC=C(C(N)C(CC)c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C16H23FN2/c1-3-15(13-6-8-14(17)9-7-13)16(18)12(2)19-10-4-5-11-19/h6-9,15-16H,2-5,10-11,18H2,1H3
InChIKeyHYVSHVZWPYZMHF-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.26
Rot. Bonds5

About 4-(4-fluorophenyl)-2-pyrrolidin-1-ylhex-1-en-3-amine

4-(4-fluorophenyl)-2-pyrrolidin-1-ylhex-1-en-3-amine (PubChem CID 89160583) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-pyrrolidin-1-ylhex-1-en-3-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-pyrrolidin-1-ylhex-1-en-3-amine
PubChem CID89160583
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name4-(4-fluorophenyl)-2-pyrrolidin-1-ylhex-1-en-3-amine
SMILESC=C(C(N)C(CC)c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C16H23FN2/c1-3-15(13-6-8-14(17)9-7-13)16(18)12(2)19-10-4-5-11-19/h6-9,15-16H,2-5,10-11,18H2,1H3
InChIKeyHYVSHVZWPYZMHF-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(4-fluorophenyl)-4-hydroxy-1-pyrrolidin-1-ylbutan-1-one
CID 163525118
3-(4-fluorophenyl)pentan-2-amine
CID 66437850
3-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82083612
3-(4-fluorophenyl)heptan-4-amine
CID 83047471
3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 143845941
N-[bis(4-fluorophenyl)methyl]-4-(1-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide
CID 68626796
1-(4-fluorophenyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 16790834
2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone
CID 82127986
1-[1-[2-amino-1-(4-fluorophenyl)butyl]piperidin-4-yl]ethanol
CID 106835544
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81347710
ethyl 4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798379
1-(4-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505312

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-pyrrolidin-1-ylhex-1-en-3-amine?
The IUPAC name of 4-(4-fluorophenyl)-2-pyrrolidin-1-ylhex-1-en-3-amine (CID 89160583) is 4-(4-fluorophenyl)-2-pyrrolidin-1-ylhex-1-en-3-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-pyrrolidin-1-ylhex-1-en-3-amine?
The canonical SMILES for 4-(4-fluorophenyl)-2-pyrrolidin-1-ylhex-1-en-3-amine is C=C(C(N)C(CC)c1ccc(F)cc1)N1CCCC1.
What is the InChIKey of 4-(4-fluorophenyl)-2-pyrrolidin-1-ylhex-1-en-3-amine?
The InChIKey is HYVSHVZWPYZMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-3-15(13-6-8-14(17)9-7-13)16(18)12(2)19-10-4-5-11-19/h6-9,15-16H,2-5,10-11,18H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-pyrrolidin-1-ylhex-1-en-3-amine?
4-(4-fluorophenyl)-2-pyrrolidin-1-ylhex-1-en-3-amine has a molecular weight of 262.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-pyrrolidin-1-ylhex-1-en-3-amine is sourced from PubChem (CID 89160583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).