[1-[1-(4-fluorophenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

C15H24ClFN2 — CID 120771726

IUPAC[1-[1-(4-fluorophenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCCC(c1ccc(F)cc1)N1CCC(C)(CN)C1.Cl
InChIInChI=1S/C15H23FN2.ClH/c1-3-14(12-4-6-13(16)7-5-12)18-9-8-15(2,10-17)11-18;/h4-7,14H,3,8-11,17H2,1-2H3;1H
InChIKeyJGHFSGQLKDSSLE-UHFFFAOYSA-N
MW286.82 g/mol
LogP3.37
Rot. Bonds4

About [1-[1-(4-fluorophenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

[1-[1-(4-fluorophenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120771726) has the molecular formula C15H24ClFN2 and a molecular weight of 286.82 g/mol. Its IUPAC name is [1-[1-(4-fluorophenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[1-(4-fluorophenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120771726
Molecular FormulaC15H24ClFN2
Molecular Weight286.82 g/mol
Exact Mass286.16
IUPAC Name[1-[1-(4-fluorophenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCCC(c1ccc(F)cc1)N1CCC(C)(CN)C1.Cl
InChIInChI=1S/C15H23FN2.ClH/c1-3-14(12-4-6-13(16)7-5-12)18-9-8-15(2,10-17)11-18;/h4-7,14H,3,8-11,17H2,1-2H3;1H
InChIKeyJGHFSGQLKDSSLE-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.82
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-fluorophenyl)acetamide;hydrochloride
CID 120772793
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 63156191
[1-[2,2-bis(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120846909
[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034
1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
CID 28798751
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 120804363
1-[1-[1-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922604
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63156587
(3aR,6aS)-5-[1-(4-fluorophenyl)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042211
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-fluorophenyl)sulfanyl-2-methylpropan-1-one
CID 120808017
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone;hydrochloride
CID 120772241
[1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771819

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-fluorophenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[1-(4-fluorophenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120771726) is [1-[1-(4-fluorophenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[1-(4-fluorophenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[1-(4-fluorophenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is CCC(c1ccc(F)cc1)N1CCC(C)(CN)C1.Cl.
What is the InChIKey of [1-[1-(4-fluorophenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is JGHFSGQLKDSSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2.ClH/c1-3-14(12-4-6-13(16)7-5-12)18-9-8-15(2,10-17)11-18;/h4-7,14H,3,8-11,17H2,1-2H3;1H.
What are the key properties of [1-[1-(4-fluorophenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-[1-(4-fluorophenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 286.82 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-fluorophenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120771726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).