[(3R,4R)-1-[1-(2,5-difluorophenyl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine

C19H22F2N2 — CID 120758912

IUPAC[(3R,4R)-1-[1-(2,5-difluorophenyl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine
SMILESCC(c1cc(F)ccc1F)N1C[C@@H](CN)[C@H](c2ccccc2)C1
InChIInChI=1S/C19H22F2N2/c1-13(17-9-16(20)7-8-19(17)21)23-11-15(10-22)18(12-23)14-5-3-2-4-6-14/h2-9,13,15,18H,10-12,22H2,1H3/t13?,15-,18+/m1/s1
InChIKeyNOTXVTDIOZVVRU-CCFGZORBSA-N
MW316.40 g/mol
LogP3.70
Rot. Bonds4

About [(3R,4R)-1-[1-(2,5-difluorophenyl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine

[(3R,4R)-1-[1-(2,5-difluorophenyl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine (PubChem CID 120758912) has the molecular formula C19H22F2N2 and a molecular weight of 316.40 g/mol. Its IUPAC name is [(3R,4R)-1-[1-(2,5-difluorophenyl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R,4R)-1-[1-(2,5-difluorophenyl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine
PubChem CID120758912
Molecular FormulaC19H22F2N2
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name[(3R,4R)-1-[1-(2,5-difluorophenyl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine
SMILESCC(c1cc(F)ccc1F)N1C[C@@H](CN)[C@H](c2ccccc2)C1
InChIInChI=1S/C19H22F2N2/c1-13(17-9-16(20)7-8-19(17)21)23-11-15(10-22)18(12-23)14-5-3-2-4-6-14/h2-9,13,15,18H,10-12,22H2,1H3/t13?,15-,18+/m1/s1
InChIKeyNOTXVTDIOZVVRU-CCFGZORBSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-[1-(2,5-difluorophenyl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine?
The IUPAC name of [(3R,4R)-1-[1-(2,5-difluorophenyl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine (CID 120758912) is [(3R,4R)-1-[1-(2,5-difluorophenyl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3R,4R)-1-[1-(2,5-difluorophenyl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3R,4R)-1-[1-(2,5-difluorophenyl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine is CC(c1cc(F)ccc1F)N1C[C@@H](CN)[C@H](c2ccccc2)C1.
What is the InChIKey of [(3R,4R)-1-[1-(2,5-difluorophenyl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine?
The InChIKey is NOTXVTDIOZVVRU-CCFGZORBSA-N. The full InChI is InChI=1S/C19H22F2N2/c1-13(17-9-16(20)7-8-19(17)21)23-11-15(10-22)18(12-23)14-5-3-2-4-6-14/h2-9,13,15,18H,10-12,22H2,1H3/t13?,15-,18+/m1/s1.
What are the key properties of [(3R,4R)-1-[1-(2,5-difluorophenyl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine?
[(3R,4R)-1-[1-(2,5-difluorophenyl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine has a molecular weight of 316.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-[1-(2,5-difluorophenyl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120758912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).