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

C19H23ClF2N2 — CID 120909599

IUPAC1-[2,2-bis(4-fluorophenyl)ethyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCC1CN(CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1N.Cl
InChIInChI=1S/C19H22F2N2.ClH/c1-13-10-23(12-19(13)22)11-18(14-2-6-16(20)7-3-14)15-4-8-17(21)9-5-15;/h2-9,13,18-19H,10-12,22H2,1H3;1H
InChIKeyYVMJLKSBJWZERO-UHFFFAOYSA-N
MW352.86 g/mol
LogP3.80
Rot. Bonds4

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

1-[2,2-bis(4-fluorophenyl)ethyl]-4-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 120909599) has the molecular formula C19H23ClF2N2 and a molecular weight of 352.86 g/mol. Its IUPAC name is 1-[2,2-bis(4-fluorophenyl)ethyl]-4-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[2,2-bis(4-fluorophenyl)ethyl]-4-methylpyrrolidin-3-amine;hydrochloride
PubChem CID120909599
Molecular FormulaC19H23ClF2N2
Molecular Weight352.86 g/mol
Exact Mass352.15
IUPAC Name1-[2,2-bis(4-fluorophenyl)ethyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCC1CN(CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1N.Cl
InChIInChI=1S/C19H22F2N2.ClH/c1-13-10-23(12-19(13)22)11-18(14-2-6-16(20)7-3-14)15-4-8-17(21)9-5-15;/h2-9,13,18-19H,10-12,22H2,1H3;1H
InChIKeyYVMJLKSBJWZERO-UHFFFAOYSA-N
XLogP3.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2,2-bis(4-fluorophenyl)ethyl]-4-methylpyrrolidin-3-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575513
1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-amine
CID 120834747
1-[1-[2,2-bis(4-fluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120840968
1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909434
1-[(2-chloro-5-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103576941
[1-[2,2-bis(4-fluorophenyl)ethyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120846909
1-[1-(4-fluorophenyl)ethyl]-3-methylpiperidin-4-amine
CID 54975955
(3S)-1-[2-(4-fluorophenyl)propyl]pyrrolidin-3-amine;hydrochloride
CID 120836364
1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpyrrolidin-3-amine
CID 103577002
1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575586
1-[[1-(difluoromethyl)cyclopropyl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 130762779
1-fluoro-4-[2-fluoro-1-(4-fluorophenyl)ethyl]benzene
CID 170783572

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(4-fluorophenyl)ethyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[2,2-bis(4-fluorophenyl)ethyl]-4-methylpyrrolidin-3-amine;hydrochloride (CID 120909599) is 1-[2,2-bis(4-fluorophenyl)ethyl]-4-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[2,2-bis(4-fluorophenyl)ethyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[2,2-bis(4-fluorophenyl)ethyl]-4-methylpyrrolidin-3-amine;hydrochloride is CC1CN(CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1N.Cl.
What is the InChIKey of 1-[2,2-bis(4-fluorophenyl)ethyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is YVMJLKSBJWZERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2.ClH/c1-13-10-23(12-19(13)22)11-18(14-2-6-16(20)7-3-14)15-4-8-17(21)9-5-15;/h2-9,13,18-19H,10-12,22H2,1H3;1H.
What are the key properties of 1-[2,2-bis(4-fluorophenyl)ethyl]-4-methylpyrrolidin-3-amine;hydrochloride?
1-[2,2-bis(4-fluorophenyl)ethyl]-4-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 352.86 g/mol, XLogP of 3.80, 4 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]-4-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120909599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).