(3S)-1-[2-(4-fluorophenyl)propyl]pyrrolidin-3-amine;hydrochloride

C13H20ClFN2 — CID 120836364

IUPAC(3S)-1-[2-(4-fluorophenyl)propyl]pyrrolidin-3-amine;hydrochloride
SMILESCC(CN1CC[C@H](N)C1)c1ccc(F)cc1.Cl
InChIInChI=1S/C13H19FN2.ClH/c1-10(8-16-7-6-13(15)9-16)11-2-4-12(14)5-3-11;/h2-5,10,13H,6-9,15H2,1H3;1H/t10?,13-;/m0./s1
InChIKeyJODGVGPBRPEIDC-FOKUGOJKSA-N
MW258.77 g/mol
LogP2.38
Rot. Bonds3

About (3S)-1-[2-(4-fluorophenyl)propyl]pyrrolidin-3-amine;hydrochloride

(3S)-1-[2-(4-fluorophenyl)propyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 120836364) has the molecular formula C13H20ClFN2 and a molecular weight of 258.77 g/mol. Its IUPAC name is (3S)-1-[2-(4-fluorophenyl)propyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-[2-(4-fluorophenyl)propyl]pyrrolidin-3-amine;hydrochloride
PubChem CID120836364
Molecular FormulaC13H20ClFN2
Molecular Weight258.77 g/mol
Exact Mass258.13
IUPAC Name(3S)-1-[2-(4-fluorophenyl)propyl]pyrrolidin-3-amine;hydrochloride
SMILESCC(CN1CC[C@H](N)C1)c1ccc(F)cc1.Cl
InChIInChI=1S/C13H19FN2.ClH/c1-10(8-16-7-6-13(15)9-16)11-2-4-12(14)5-3-11;/h2-5,10,13H,6-9,15H2,1H3;1H/t10?,13-;/m0./s1
InChIKeyJODGVGPBRPEIDC-FOKUGOJKSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-fluorophenyl)propyl]-N-methylpyrrolidin-3-amine
CID 120834127
1-[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120838983
1-[1-[2-(4-fluorophenyl)propyl]piperidin-3-yl]ethanamine
CID 120841093
1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-amine
CID 120834747
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
N-[[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]methyl]ethanamine
CID 120842603
(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine
CID 79005005
3-methyl-1-(2-phenylpropyl)piperidin-4-amine
CID 79879108
1-[2-(4-fluorophenyl)propyl]-1,4-diazepane;hydrochloride
CID 120834349
1-[1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120840968
[4-[1-(4-aminopiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone
CID 12802930
(2S)-1-(3-aminopyrrolidin-1-yl)propan-2-ol
CID 103840761

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(4-fluorophenyl)propyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-1-[2-(4-fluorophenyl)propyl]pyrrolidin-3-amine;hydrochloride (CID 120836364) is (3S)-1-[2-(4-fluorophenyl)propyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-1-[2-(4-fluorophenyl)propyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-1-[2-(4-fluorophenyl)propyl]pyrrolidin-3-amine;hydrochloride is CC(CN1CC[C@H](N)C1)c1ccc(F)cc1.Cl.
What is the InChIKey of (3S)-1-[2-(4-fluorophenyl)propyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is JODGVGPBRPEIDC-FOKUGOJKSA-N. The full InChI is InChI=1S/C13H19FN2.ClH/c1-10(8-16-7-6-13(15)9-16)11-2-4-12(14)5-3-11;/h2-5,10,13H,6-9,15H2,1H3;1H/t10?,13-;/m0./s1.
What are the key properties of (3S)-1-[2-(4-fluorophenyl)propyl]pyrrolidin-3-amine;hydrochloride?
(3S)-1-[2-(4-fluorophenyl)propyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 258.77 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(4-fluorophenyl)propyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120836364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).