[1-benzyl-3-(benzylamino)pyrrolidin-2-yl]methanol

C19H24N2O — CID 85281487

IUPAC[1-benzyl-3-(benzylamino)pyrrolidin-2-yl]methanol
SMILESOCC1C(NCc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C19H24N2O/c22-15-19-18(20-13-16-7-3-1-4-8-16)11-12-21(19)14-17-9-5-2-6-10-17/h1-10,18-20,22H,11-15H2
InChIKeyDYOKZZGRVMNKAH-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.41
Rot. Bonds6

About [1-benzyl-3-(benzylamino)pyrrolidin-2-yl]methanol

[1-benzyl-3-(benzylamino)pyrrolidin-2-yl]methanol (PubChem CID 85281487) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is [1-benzyl-3-(benzylamino)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-3-(benzylamino)pyrrolidin-2-yl]methanol
PubChem CID85281487
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name[1-benzyl-3-(benzylamino)pyrrolidin-2-yl]methanol
SMILESOCC1C(NCc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C19H24N2O/c22-15-19-18(20-13-16-7-3-1-4-8-16)11-12-21(19)14-17-9-5-2-6-10-17/h1-10,18-20,22H,11-15H2
InChIKeyDYOKZZGRVMNKAH-UHFFFAOYSA-N
XLogP2.41
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol
CID 10998222
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
(3R,4R)-N,1-dibenzyl-3-phenylpiperidin-4-amine
CID 7450726
N,1-dibenzyl-2-methylpiperidin-4-amine
CID 119029011
(3S,4S)-N,1-dibenzyl-3-phenylpiperidin-4-amine
CID 11905043
[(2S,3S)-1-benzyl-3-phenylmethoxypiperidin-2-yl]methanol
CID 122383761
[(2R,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol
CID 57385481
methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
(1R,2S,3R)-3-(benzylamino)cyclopentane-1,2-diol
CID 163753125
(2R,3R,4R,5S)-1-benzyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 10131235

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-3-(benzylamino)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-benzyl-3-(benzylamino)pyrrolidin-2-yl]methanol (CID 85281487) is [1-benzyl-3-(benzylamino)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-benzyl-3-(benzylamino)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-benzyl-3-(benzylamino)pyrrolidin-2-yl]methanol is OCC1C(NCc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of [1-benzyl-3-(benzylamino)pyrrolidin-2-yl]methanol?
The InChIKey is DYOKZZGRVMNKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c22-15-19-18(20-13-16-7-3-1-4-8-16)11-12-21(19)14-17-9-5-2-6-10-17/h1-10,18-20,22H,11-15H2.
What are the key properties of [1-benzyl-3-(benzylamino)pyrrolidin-2-yl]methanol?
[1-benzyl-3-(benzylamino)pyrrolidin-2-yl]methanol has a molecular weight of 296.41 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-3-(benzylamino)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 85281487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).