[1,2-bis(4-fluorophenyl)pyrrolidin-3-yl]methanamine;hydrochloride

C17H19ClF2N2 — CID 70084109

IUPAC[1,2-bis(4-fluorophenyl)pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(c2ccc(F)cc2)C1c1ccc(F)cc1
InChIInChI=1S/C17H18F2N2.ClH/c18-14-3-1-12(2-4-14)17-13(11-20)9-10-21(17)16-7-5-15(19)6-8-16;/h1-8,13,17H,9-11,20H2;1H
InChIKeyCXRLLQWRBNDKPD-UHFFFAOYSA-N
MW324.80 g/mol
LogP3.91
Rot. Bonds3

About [1,2-bis(4-fluorophenyl)pyrrolidin-3-yl]methanamine;hydrochloride

[1,2-bis(4-fluorophenyl)pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 70084109) has the molecular formula C17H19ClF2N2 and a molecular weight of 324.80 g/mol. Its IUPAC name is [1,2-bis(4-fluorophenyl)pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1,2-bis(4-fluorophenyl)pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID70084109
Molecular FormulaC17H19ClF2N2
Molecular Weight324.80 g/mol
Exact Mass324.12
IUPAC Name[1,2-bis(4-fluorophenyl)pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(c2ccc(F)cc2)C1c1ccc(F)cc1
InChIInChI=1S/C17H18F2N2.ClH/c18-14-3-1-12(2-4-14)17-13(11-20)9-10-21(17)16-7-5-15(19)6-8-16;/h1-8,13,17H,9-11,20H2;1H
InChIKeyCXRLLQWRBNDKPD-UHFFFAOYSA-N
XLogP3.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.80
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 57364162
(7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine
CID 105459047
[2-(4-fluorophenyl)oxolan-3-yl]methanamine;hydrochloride
CID 122360291
[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]methanamine
CID 117050521
[1-(4-fluorophenyl)-2-methylpyrrolidin-3-yl]methanol
CID 117021991
1-(4-fluorophenyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 57363347
[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanamine
CID 68928221
[(2R,3S)-1-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanamine
CID 95240602
(2R,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-amine
CID 124709830
[(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-3-yl]methanamine
CID 82393146
1-(4-fluorophenyl)-2-(4-methylphenyl)pyrrolidine
CID 159405630
[2-(4-cyclopropylphenyl)-1-propylpyrrolidin-3-yl]methanamine
CID 79978121

Frequently Asked Questions

What is the IUPAC name of [1,2-bis(4-fluorophenyl)pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1,2-bis(4-fluorophenyl)pyrrolidin-3-yl]methanamine;hydrochloride (CID 70084109) is [1,2-bis(4-fluorophenyl)pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1,2-bis(4-fluorophenyl)pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1,2-bis(4-fluorophenyl)pyrrolidin-3-yl]methanamine;hydrochloride is Cl.NCC1CCN(c2ccc(F)cc2)C1c1ccc(F)cc1.
What is the InChIKey of [1,2-bis(4-fluorophenyl)pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is CXRLLQWRBNDKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2.ClH/c18-14-3-1-12(2-4-14)17-13(11-20)9-10-21(17)16-7-5-15(19)6-8-16;/h1-8,13,17H,9-11,20H2;1H.
What are the key properties of [1,2-bis(4-fluorophenyl)pyrrolidin-3-yl]methanamine;hydrochloride?
[1,2-bis(4-fluorophenyl)pyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 324.80 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-bis(4-fluorophenyl)pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 70084109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).