(2S,3R)-N-benzyl-2-phenylpyrrolidin-3-amine

C17H20N2 — CID 11499795

IUPAC(2S,3R)-N-benzyl-2-phenylpyrrolidin-3-amine
SMILESc1ccc(CN[C@@H]2CCN[C@H]2c2ccccc2)cc1
InChIInChI=1S/C17H20N2/c1-3-7-14(8-4-1)13-19-16-11-12-18-17(16)15-9-5-2-6-10-15/h1-10,16-19H,11-13H2/t16-,17+/m1/s1
InChIKeyNBGVIYMKELGYKN-SJORKVTESA-N
MW252.36 g/mol
LogP2.88
Rot. Bonds4

About (2S,3R)-N-benzyl-2-phenylpyrrolidin-3-amine

(2S,3R)-N-benzyl-2-phenylpyrrolidin-3-amine (PubChem CID 11499795) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (2S,3R)-N-benzyl-2-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(2S,3R)-N-benzyl-2-phenylpyrrolidin-3-amine
PubChem CID11499795
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name(2S,3R)-N-benzyl-2-phenylpyrrolidin-3-amine
SMILESc1ccc(CN[C@@H]2CCN[C@H]2c2ccccc2)cc1
InChIInChI=1S/C17H20N2/c1-3-7-14(8-4-1)13-19-16-11-12-18-17(16)15-9-5-2-6-10-15/h1-10,16-19H,11-13H2/t16-,17+/m1/s1
InChIKeyNBGVIYMKELGYKN-SJORKVTESA-N
XLogP2.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-N-benzyl-2-phenylpiperidin-3-amine
CID 67754429
(2S,3S)-N-[(2,3-dichlorophenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 11659767
(2R,3R)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine
CID 69249147
(2S,3S)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine
CID 59730567
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 11616159
(2R,3R)-N-[(5-ethylfuran-2-yl)methyl]-2-phenylpyrrolidin-3-amine
CID 69249184
(2R,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 69248691
2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 19012951
(2S,3S)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 67819925
N-[(3-methyl-1-benzothiophen-2-yl)methyl]-2-phenylpyrrolidin-3-amine
CID 69249641
(2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine
CID 54529861
(2S,3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenylpiperidin-3-amine
CID 57162412

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-benzyl-2-phenylpyrrolidin-3-amine?
The IUPAC name of (2S,3R)-N-benzyl-2-phenylpyrrolidin-3-amine (CID 11499795) is (2S,3R)-N-benzyl-2-phenylpyrrolidin-3-amine.
What is the SMILES notation for (2S,3R)-N-benzyl-2-phenylpyrrolidin-3-amine?
The canonical SMILES for (2S,3R)-N-benzyl-2-phenylpyrrolidin-3-amine is c1ccc(CN[C@@H]2CCN[C@H]2c2ccccc2)cc1.
What is the InChIKey of (2S,3R)-N-benzyl-2-phenylpyrrolidin-3-amine?
The InChIKey is NBGVIYMKELGYKN-SJORKVTESA-N. The full InChI is InChI=1S/C17H20N2/c1-3-7-14(8-4-1)13-19-16-11-12-18-17(16)15-9-5-2-6-10-15/h1-10,16-19H,11-13H2/t16-,17+/m1/s1.
What are the key properties of (2S,3R)-N-benzyl-2-phenylpyrrolidin-3-amine?
(2S,3R)-N-benzyl-2-phenylpyrrolidin-3-amine has a molecular weight of 252.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-benzyl-2-phenylpyrrolidin-3-amine is sourced from PubChem (CID 11499795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).