[(3R,4R)-4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine

C19H24N2 — CID 120759911

IUPAC[(3R,4R)-4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CN(CCc2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C19H24N2/c20-13-18-14-21(12-11-16-7-3-1-4-8-16)15-19(18)17-9-5-2-6-10-17/h1-10,18-19H,11-15,20H2/t18-,19+/m1/s1
InChIKeyGHFDKBJVEWDORM-MOPGFXCFSA-N
MW280.42 g/mol
LogP2.90
Rot. Bonds5

About [(3R,4R)-4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine

[(3R,4R)-4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine (PubChem CID 120759911) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is [(3R,4R)-4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R,4R)-4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine
PubChem CID120759911
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name[(3R,4R)-4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CN(CCc2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C19H24N2/c20-13-18-14-21(12-11-16-7-3-1-4-8-16)15-19(18)17-9-5-2-6-10-17/h1-10,18-19H,11-15,20H2/t18-,19+/m1/s1
InChIKeyGHFDKBJVEWDORM-MOPGFXCFSA-N
XLogP2.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R,4R)-1-[2-(4-nitrophenyl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120760160
1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 120760183
[(3R,4R)-1-[(3-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120769822
[(3R,4R)-4-phenyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120759105
[(3R,4R)-1-[(4-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120760026
[(3S,4S)-4-[3-(aminomethyl)phenyl]-1-benzylpyrrolidin-3-yl]methanamine
CID 10108566
[(3R,4R)-1-[(4-iodophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759007
3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 120758501
[(3R,4R)-4-phenyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 120758596
[(3R,4R)-1-(cyclobutylmethyl)-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759708
[(3R,4R)-1-(naphthalen-2-ylmethyl)-4-phenylpyrrolidin-3-yl]methanamine
CID 120759943
[(3R,4R)-4-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine
CID 120769292

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [(3R,4R)-4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine (CID 120759911) is [(3R,4R)-4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3R,4R)-4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3R,4R)-4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine is NC[C@@H]1CN(CCc2ccccc2)C[C@H]1c1ccccc1.
What is the InChIKey of [(3R,4R)-4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is GHFDKBJVEWDORM-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H24N2/c20-13-18-14-21(12-11-16-7-3-1-4-8-16)15-19(18)17-9-5-2-6-10-17/h1-10,18-19H,11-15,20H2/t18-,19+/m1/s1.
What are the key properties of [(3R,4R)-4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine?
[(3R,4R)-4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 280.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120759911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).