N-[(3-fluorophenyl)methyl]-1-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanamine;hydrochloride

C17H20ClF2N3 — CID 52986379

IUPACN-[(3-fluorophenyl)methyl]-1-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanamine;hydrochloride
SMILESCl.Fc1ccc(C2NNCC2CNCc2cccc(F)c2)cc1
InChIInChI=1S/C17H19F2N3.ClH/c18-15-6-4-13(5-7-15)17-14(11-21-22-17)10-20-9-12-2-1-3-16(19)8-12;/h1-8,14,17,20-22H,9-11H2;1H
InChIKeyLLGCALXUJWOMRW-UHFFFAOYSA-N
MW339.82 g/mol
LogP2.94
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-1-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanamine;hydrochloride

N-[(3-fluorophenyl)methyl]-1-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanamine;hydrochloride (PubChem CID 52986379) has the molecular formula C17H20ClF2N3 and a molecular weight of 339.82 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanamine;hydrochloride
PubChem CID52986379
Molecular FormulaC17H20ClF2N3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC NameN-[(3-fluorophenyl)methyl]-1-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanamine;hydrochloride
SMILESCl.Fc1ccc(C2NNCC2CNCc2cccc(F)c2)cc1
InChIInChI=1S/C17H19F2N3.ClH/c18-15-6-4-13(5-7-15)17-14(11-21-22-17)10-20-9-12-2-1-3-16(19)8-12;/h1-8,14,17,20-22H,9-11H2;1H
InChIKeyLLGCALXUJWOMRW-UHFFFAOYSA-N
XLogP2.94
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethoxy]ethanol
CID 52975595
N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-propoxyethanamine
CID 75257296
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-phenylpyrazolidin-4-yl)methanamine
CID 78356817
N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-(4-methoxyphenoxy)ethanamine
CID 52975548
1-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethyl]-4,6-dimethylpyrimidin-2-one
CID 75257347
1-[3-(4-chlorophenyl)pyrazolidin-4-yl]-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine;hydrochloride
CID 52990446
N-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]-3-(2-fluorophenoxy)propan-1-amine;hydrochloride
CID 52986592
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(3-methylpyrazolidin-4-yl)methanamine
CID 134068412
1-(1,4-dimethylpiperazin-2-yl)-N-[(3-fluorophenyl)methyl]methanamine
CID 63898562
2-methoxy-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]ethanamine
CID 75266717
2-[(3-phenylpyrazolidin-4-yl)methylamino]acetamide
CID 78339992
2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
CID 60921890

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-1-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanamine;hydrochloride?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanamine;hydrochloride (CID 52986379) is N-[(3-fluorophenyl)methyl]-1-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanamine;hydrochloride is Cl.Fc1ccc(C2NNCC2CNCc2cccc(F)c2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanamine;hydrochloride?
The InChIKey is LLGCALXUJWOMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3.ClH/c18-15-6-4-13(5-7-15)17-14(11-21-22-17)10-20-9-12-2-1-3-16(19)8-12;/h1-8,14,17,20-22H,9-11H2;1H.
What are the key properties of N-[(3-fluorophenyl)methyl]-1-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanamine;hydrochloride?
N-[(3-fluorophenyl)methyl]-1-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanamine;hydrochloride has a molecular weight of 339.82 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-1-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 52986379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).