(2R)-1-[(1-methylpyrrol-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol

C21H30N2O3 — CID 129421000

IUPAC(2R)-1-[(1-methylpyrrol-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
SMILESCn1cccc1CN(C[C@@H](O)COCc1ccccc1)C[C@H]1CCCO1
InChIInChI=1S/C21H30N2O3/c1-22-11-5-9-19(22)13-23(15-21-10-6-12-26-21)14-20(24)17-25-16-18-7-3-2-4-8-18/h2-5,7-9,11,20-21,24H,6,10,12-17H2,1H3/t20-,21-/m1/s1
InChIKeyJXCFLKXFIJPPPP-NHCUHLMSSA-N
MW358.48 g/mol
LogP2.58
Rot. Bonds10

About (2R)-1-[(1-methylpyrrol-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol

(2R)-1-[(1-methylpyrrol-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol (PubChem CID 129421000) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is (2R)-1-[(1-methylpyrrol-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(1-methylpyrrol-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
PubChem CID129421000
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name(2R)-1-[(1-methylpyrrol-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
SMILESCn1cccc1CN(C[C@@H](O)COCc1ccccc1)C[C@H]1CCCO1
InChIInChI=1S/C21H30N2O3/c1-22-11-5-9-19(22)13-23(15-21-10-6-12-26-21)14-20(24)17-25-16-18-7-3-2-4-8-18/h2-5,7-9,11,20-21,24H,6,10,12-17H2,1H3/t20-,21-/m1/s1
InChIKeyJXCFLKXFIJPPPP-NHCUHLMSSA-N
XLogP2.58
TPSA46.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(1-methylpyrrol-2-yl)methyl-[[(2R)-oxolan-2-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

(2R)-1-[(2-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93147017
(2S)-1-[(3-methoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93162908
1-[benzyl(oxolan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713650
(2S)-1-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93161997
(2R)-1-[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 129423111
(2R)-1-[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenoxypropan-2-ol
CID 129419580
2-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-(oxolan-2-ylmethyl)amino]methyl]phenol
CID 78793489
(2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propan-2-ol
CID 129424339
(2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propan-2-ol
CID 93163092
(2S)-1-butoxy-3-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol
CID 93223025
(2S)-1-[(3-methylphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenoxypropan-2-ol
CID 93163081
1-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl-(oxolan-2-ylmethyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 46026642

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1-methylpyrrol-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2R)-1-[(1-methylpyrrol-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol (CID 129421000) is (2R)-1-[(1-methylpyrrol-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(1-methylpyrrol-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2R)-1-[(1-methylpyrrol-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol is Cn1cccc1CN(C[C@@H](O)COCc1ccccc1)C[C@H]1CCCO1.
What is the InChIKey of (2R)-1-[(1-methylpyrrol-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is JXCFLKXFIJPPPP-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-22-11-5-9-19(22)13-23(15-21-10-6-12-26-21)14-20(24)17-25-16-18-7-3-2-4-8-18/h2-5,7-9,11,20-21,24H,6,10,12-17H2,1H3/t20-,21-/m1/s1.
What are the key properties of (2R)-1-[(1-methylpyrrol-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol?
(2R)-1-[(1-methylpyrrol-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 358.48 g/mol, XLogP of 2.58, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1-methylpyrrol-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 129421000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).