[(3R,4R)-1-(naphthalen-2-ylmethyl)-4-phenylpyrrolidin-3-yl]methanamine

C22H24N2 — CID 120759943

IUPAC[(3R,4R)-1-(naphthalen-2-ylmethyl)-4-phenylpyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CN(Cc2ccc3ccccc3c2)C[C@H]1c1ccccc1
InChIInChI=1S/C22H24N2/c23-13-21-15-24(16-22(21)19-7-2-1-3-8-19)14-17-10-11-18-6-4-5-9-20(18)12-17/h1-12,21-22H,13-16,23H2/t21-,22+/m1/s1
InChIKeyLMGNFXXFBDGHCW-YADHBBJMSA-N
MW316.45 g/mol
LogP4.01
Rot. Bonds4

About [(3R,4R)-1-(naphthalen-2-ylmethyl)-4-phenylpyrrolidin-3-yl]methanamine

[(3R,4R)-1-(naphthalen-2-ylmethyl)-4-phenylpyrrolidin-3-yl]methanamine (PubChem CID 120759943) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is [(3R,4R)-1-(naphthalen-2-ylmethyl)-4-phenylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R,4R)-1-(naphthalen-2-ylmethyl)-4-phenylpyrrolidin-3-yl]methanamine
PubChem CID120759943
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name[(3R,4R)-1-(naphthalen-2-ylmethyl)-4-phenylpyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CN(Cc2ccc3ccccc3c2)C[C@H]1c1ccccc1
InChIInChI=1S/C22H24N2/c23-13-21-15-24(16-22(21)19-7-2-1-3-8-19)14-17-10-11-18-6-4-5-9-20(18)12-17/h1-12,21-22H,13-16,23H2/t21-,22+/m1/s1
InChIKeyLMGNFXXFBDGHCW-YADHBBJMSA-N
XLogP4.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R,4R)-1-[(3-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120769822
[(3R,4R)-1-[(4-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120760026
[(3R,4R)-1-[(4-iodophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759007
[(3S,4S)-4-[3-(aminomethyl)phenyl]-1-benzylpyrrolidin-3-yl]methanamine
CID 10108566
[(3R,4R)-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120769264
[(3R,4R)-1-[[4-(difluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120846619
[(3R,4R)-1-[[4-(difluoromethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759157
[(3R,4S)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]methanamine
CID 67233832
[(3R,4R)-1-[[4-(2,2-difluoroethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120769414
[(3R,4R)-1-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120769565
[(3R,4R)-1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120769816
[(3R,4R)-4-phenyl-1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 120769564

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-(naphthalen-2-ylmethyl)-4-phenylpyrrolidin-3-yl]methanamine?
The IUPAC name of [(3R,4R)-1-(naphthalen-2-ylmethyl)-4-phenylpyrrolidin-3-yl]methanamine (CID 120759943) is [(3R,4R)-1-(naphthalen-2-ylmethyl)-4-phenylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3R,4R)-1-(naphthalen-2-ylmethyl)-4-phenylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3R,4R)-1-(naphthalen-2-ylmethyl)-4-phenylpyrrolidin-3-yl]methanamine is NC[C@@H]1CN(Cc2ccc3ccccc3c2)C[C@H]1c1ccccc1.
What is the InChIKey of [(3R,4R)-1-(naphthalen-2-ylmethyl)-4-phenylpyrrolidin-3-yl]methanamine?
The InChIKey is LMGNFXXFBDGHCW-YADHBBJMSA-N. The full InChI is InChI=1S/C22H24N2/c23-13-21-15-24(16-22(21)19-7-2-1-3-8-19)14-17-10-11-18-6-4-5-9-20(18)12-17/h1-12,21-22H,13-16,23H2/t21-,22+/m1/s1.
What are the key properties of [(3R,4R)-1-(naphthalen-2-ylmethyl)-4-phenylpyrrolidin-3-yl]methanamine?
[(3R,4R)-1-(naphthalen-2-ylmethyl)-4-phenylpyrrolidin-3-yl]methanamine has a molecular weight of 316.45 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-(naphthalen-2-ylmethyl)-4-phenylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120759943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).