(3S,4R)-1-[[4-(2,2-difluoroethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine

C19H22F2N2O — CID 120770114

IUPAC(3S,4R)-1-[[4-(2,2-difluoroethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine
SMILESN[C@@H]1CN(Cc2ccc(OCC(F)F)cc2)C[C@H]1c1ccccc1
InChIInChI=1S/C19H22F2N2O/c20-19(21)13-24-16-8-6-14(7-9-16)10-23-11-17(18(22)12-23)15-4-2-1-3-5-15/h1-9,17-19H,10-13,22H2/t17-,18+/m0/s1
InChIKeyZLKVMUGUZOFJEO-ZWKOTPCHSA-N
MW332.39 g/mol
LogP3.26
Rot. Bonds6

About (3S,4R)-1-[[4-(2,2-difluoroethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine

(3S,4R)-1-[[4-(2,2-difluoroethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine (PubChem CID 120770114) has the molecular formula C19H22F2N2O and a molecular weight of 332.39 g/mol. Its IUPAC name is (3S,4R)-1-[[4-(2,2-difluoroethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-[[4-(2,2-difluoroethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine
PubChem CID120770114
Molecular FormulaC19H22F2N2O
Molecular Weight332.39 g/mol
Exact Mass332.17
IUPAC Name(3S,4R)-1-[[4-(2,2-difluoroethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine
SMILESN[C@@H]1CN(Cc2ccc(OCC(F)F)cc2)C[C@H]1c1ccccc1
InChIInChI=1S/C19H22F2N2O/c20-19(21)13-24-16-8-6-14(7-9-16)10-23-11-17(18(22)12-23)15-4-2-1-3-5-15/h1-9,17-19H,10-13,22H2/t17-,18+/m0/s1
InChIKeyZLKVMUGUZOFJEO-ZWKOTPCHSA-N
XLogP3.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4R)-1-[[4-(2,2-difluoroethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120769414
(3S,4R)-1-[[4-(difluoromethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120761188
(3S,4R)-1-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine
CID 120770232
(3S,4R)-4-phenyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120770063
[(3R,4R)-1-[[4-(difluoromethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759157
(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)pyrrolidin-3-amine
CID 129353823
(4R)-1-benzyl-4-(3,5-difluorophenyl)pyrrolidin-3-amine
CID 146550494
(3S,4R)-1-benzyl-4-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 139593254
(3S,4R)-1-[(3-fluoro-4-methylphenyl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770001
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
[(3R,4R)-1-[[4-(difluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120846619
(3S,4R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-phenylpyrrolidin-3-amine
CID 120770236

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[[4-(2,2-difluoroethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-[[4-(2,2-difluoroethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine (CID 120770114) is (3S,4R)-1-[[4-(2,2-difluoroethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-[[4-(2,2-difluoroethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-[[4-(2,2-difluoroethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine is N[C@@H]1CN(Cc2ccc(OCC(F)F)cc2)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-1-[[4-(2,2-difluoroethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine?
The InChIKey is ZLKVMUGUZOFJEO-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H22F2N2O/c20-19(21)13-24-16-8-6-14(7-9-16)10-23-11-17(18(22)12-23)15-4-2-1-3-5-15/h1-9,17-19H,10-13,22H2/t17-,18+/m0/s1.
What are the key properties of (3S,4R)-1-[[4-(2,2-difluoroethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine?
(3S,4R)-1-[[4-(2,2-difluoroethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine has a molecular weight of 332.39 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[[4-(2,2-difluoroethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 120770114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).