[(2S,4S)-4-amino-1-benzhydrylpyrrolidin-2-yl]methanol

C18H22N2O — CID 57271449

IUPAC[(2S,4S)-4-amino-1-benzhydrylpyrrolidin-2-yl]methanol
SMILESN[C@H]1C[C@@H](CO)N(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C18H22N2O/c19-16-11-17(13-21)20(12-16)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18,21H,11-13,19H2/t16-,17-/m0/s1
InChIKeySZDWVWAFASFIAK-IRXDYDNUSA-N
MW282.39 g/mol
LogP2.17
Rot. Bonds4

About [(2S,4S)-4-amino-1-benzhydrylpyrrolidin-2-yl]methanol

[(2S,4S)-4-amino-1-benzhydrylpyrrolidin-2-yl]methanol (PubChem CID 57271449) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [(2S,4S)-4-amino-1-benzhydrylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-amino-1-benzhydrylpyrrolidin-2-yl]methanol
PubChem CID57271449
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[(2S,4S)-4-amino-1-benzhydrylpyrrolidin-2-yl]methanol
SMILESN[C@H]1C[C@@H](CO)N(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C18H22N2O/c19-16-11-17(13-21)20(12-16)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18,21H,11-13,19H2/t16-,17-/m0/s1
InChIKeySZDWVWAFASFIAK-IRXDYDNUSA-N
XLogP2.17
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzhydrylaziridin-2-ol
CID 22253575
benzyl (2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylate;hydrochloride
CID 45072633
(2S,3R)-1-benzhydryl-2-methylazetidin-3-ol
CID 10243988
(2R)-1-benzhydryl-2-methylazetidin-3-ol
CID 135395570
4-[(3-aminoazetidin-1-yl)-phenylmethyl]phenol
CID 65244438
(1-benzhydrylazetidin-2-yl)methanol;4-methylbenzenesulfonic acid
CID 18968776
(3S)-1-(3,3-diphenylpropyl)pyrrolidin-3-amine
CID 58636592
(2S,4S)-1-benzhydryl-4-hydroxypyrrolidine-2-carboxylic acid
CID 141124227
2-(1-benzhydrylazetidin-3-yl)oxyethanol
CID 142434667
(2S,4S)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 138731797
N-[1-[bis(4-chlorophenyl)methyl]-5-(hydroxymethyl)pyrrolidin-3-yl]-4-chlorobenzamide
CID 69372636
4-amino-1-(3-hydroxy-1-phenylpropyl)pyrrolidin-2-one
CID 168698922

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-amino-1-benzhydrylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-amino-1-benzhydrylpyrrolidin-2-yl]methanol (CID 57271449) is [(2S,4S)-4-amino-1-benzhydrylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-amino-1-benzhydrylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-amino-1-benzhydrylpyrrolidin-2-yl]methanol is N[C@H]1C[C@@H](CO)N(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of [(2S,4S)-4-amino-1-benzhydrylpyrrolidin-2-yl]methanol?
The InChIKey is SZDWVWAFASFIAK-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H22N2O/c19-16-11-17(13-21)20(12-16)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18,21H,11-13,19H2/t16-,17-/m0/s1.
What are the key properties of [(2S,4S)-4-amino-1-benzhydrylpyrrolidin-2-yl]methanol?
[(2S,4S)-4-amino-1-benzhydrylpyrrolidin-2-yl]methanol has a molecular weight of 282.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-amino-1-benzhydrylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 57271449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).