(2S)-1-[benzyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-3-phenylmethoxypropan-2-ol

C22H29NO4 — CID 168984483

IUPAC(2S)-1-[benzyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
SMILESOCC1(CN(Cc2ccccc2)C[C@H](O)COCc2ccccc2)COC1
InChIInChI=1S/C22H29NO4/c24-16-22(17-27-18-22)15-23(11-19-7-3-1-4-8-19)12-21(25)14-26-13-20-9-5-2-6-10-20/h1-10,21,24-25H,11-18H2/t21-/m0/s1
InChIKeyHOYGHDTYGBMCEI-NRFANRHFSA-N
MW371.48 g/mol
LogP2.08
Rot. Bonds11

About (2S)-1-[benzyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-3-phenylmethoxypropan-2-ol

(2S)-1-[benzyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-3-phenylmethoxypropan-2-ol (PubChem CID 168984483) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is (2S)-1-[benzyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[benzyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
PubChem CID168984483
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name(2S)-1-[benzyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
SMILESOCC1(CN(Cc2ccccc2)C[C@H](O)COCc2ccccc2)COC1
InChIInChI=1S/C22H29NO4/c24-16-22(17-27-18-22)15-23(11-19-7-3-1-4-8-19)12-21(25)14-26-13-20-9-5-2-6-10-20/h1-10,21,24-25H,11-18H2/t21-/m0/s1
InChIKeyHOYGHDTYGBMCEI-NRFANRHFSA-N
XLogP2.08
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[benzyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-3-phenylmethoxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93164962
(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93162067
(2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol
CID 93160595
(2R)-1-[benzyl(3-methoxypropyl)amino]-3-phenylmethoxypropan-2-ol
CID 93161480
1-[cyclopropylmethyl-[(4-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 46007631
[3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol
CID 159973315
1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682210
(2R)-1-[1,3-benzodioxol-5-ylmethyl-[(4-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93163983
1-(1,3-benzodioxol-5-ylmethoxy)-3-[benzyl(2-hydroxyethyl)amino]propan-2-ol
CID 4854607
(2S)-1-[benzyl-[[(5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93177479
(2R)-1-[benzyl-[[(5S)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
CID 99728451
1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 46007114

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[benzyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2S)-1-[benzyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-3-phenylmethoxypropan-2-ol (CID 168984483) is (2S)-1-[benzyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[benzyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2S)-1-[benzyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-3-phenylmethoxypropan-2-ol is OCC1(CN(Cc2ccccc2)C[C@H](O)COCc2ccccc2)COC1.
What is the InChIKey of (2S)-1-[benzyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is HOYGHDTYGBMCEI-NRFANRHFSA-N. The full InChI is InChI=1S/C22H29NO4/c24-16-22(17-27-18-22)15-23(11-19-7-3-1-4-8-19)12-21(25)14-26-13-20-9-5-2-6-10-20/h1-10,21,24-25H,11-18H2/t21-/m0/s1.
What are the key properties of (2S)-1-[benzyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-3-phenylmethoxypropan-2-ol?
(2S)-1-[benzyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 371.48 g/mol, XLogP of 2.08, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[benzyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 168984483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).