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

C20H25ClF2N2 — CID 120846909

IUPAC[1-[2,2-bis(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1(CN)CCN(CC(c2ccc(F)cc2)c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C20H24F2N2.ClH/c1-20(13-23)10-11-24(14-20)12-19(15-2-6-17(21)7-3-15)16-4-8-18(22)9-5-16;/h2-9,19H,10-14,23H2,1H3;1H
InChIKeyWEFPHKJEQCPBJP-UHFFFAOYSA-N
MW366.88 g/mol
LogP4.19
Rot. Bonds5

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

[1-[2,2-bis(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120846909) has the molecular formula C20H25ClF2N2 and a molecular weight of 366.88 g/mol. Its IUPAC name is [1-[2,2-bis(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[2,2-bis(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120846909
Molecular FormulaC20H25ClF2N2
Molecular Weight366.88 g/mol
Exact Mass366.17
IUPAC Name[1-[2,2-bis(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1(CN)CCN(CC(c2ccc(F)cc2)c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C20H24F2N2.ClH/c1-20(13-23)10-11-24(14-20)12-19(15-2-6-17(21)7-3-15)16-4-8-18(22)9-5-16;/h2-9,19H,10-14,23H2,1H3;1H
InChIKeyWEFPHKJEQCPBJP-UHFFFAOYSA-N
XLogP4.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.88
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034
[3-methyl-1-(2-phenylpropyl)pyrrolidin-3-yl]methanamine
CID 120846989
[1-[1-(4-fluorophenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771726
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-fluorophenyl)acetamide;hydrochloride
CID 120772793
[1-[2-(4-methoxyphenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780941
[1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771819
[1-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780551
[1-[(5-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781196
[1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780449
[1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772351
[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120781124
1-[2,2-bis(4-fluorophenyl)ethyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909599

Frequently Asked Questions

What is the IUPAC name of [1-[2,2-bis(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[2,2-bis(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120846909) is [1-[2,2-bis(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[2,2-bis(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[2,2-bis(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is CC1(CN)CCN(CC(c2ccc(F)cc2)c2ccc(F)cc2)C1.Cl.
What is the InChIKey of [1-[2,2-bis(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is WEFPHKJEQCPBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2.ClH/c1-20(13-23)10-11-24(14-20)12-19(15-2-6-17(21)7-3-15)16-4-8-18(22)9-5-16;/h2-9,19H,10-14,23H2,1H3;1H.
What are the key properties of [1-[2,2-bis(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-[2,2-bis(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 366.88 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2,2-bis(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120846909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).