(2R)-1-[(1-benzylpyrrol-2-yl)methyl-(2-methylpropyl)amino]pentan-2-ol

C21H32N2O — CID 7431496

IUPAC(2R)-1-[(1-benzylpyrrol-2-yl)methyl-(2-methylpropyl)amino]pentan-2-ol
SMILESCCC[C@@H](O)CN(Cc1cccn1Cc1ccccc1)CC(C)C
InChIInChI=1S/C21H32N2O/c1-4-9-21(24)17-22(14-18(2)3)16-20-12-8-13-23(20)15-19-10-6-5-7-11-19/h5-8,10-13,18,21,24H,4,9,14-17H2,1-3H3/t21-/m1/s1
InChIKeyAMYXFPHABMZQPE-OAQYLSRUSA-N
MW328.50 g/mol
LogP4.16
Rot. Bonds10

About (2R)-1-[(1-benzylpyrrol-2-yl)methyl-(2-methylpropyl)amino]pentan-2-ol

(2R)-1-[(1-benzylpyrrol-2-yl)methyl-(2-methylpropyl)amino]pentan-2-ol (PubChem CID 7431496) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is (2R)-1-[(1-benzylpyrrol-2-yl)methyl-(2-methylpropyl)amino]pentan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(1-benzylpyrrol-2-yl)methyl-(2-methylpropyl)amino]pentan-2-ol
PubChem CID7431496
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name(2R)-1-[(1-benzylpyrrol-2-yl)methyl-(2-methylpropyl)amino]pentan-2-ol
SMILESCCC[C@@H](O)CN(Cc1cccn1Cc1ccccc1)CC(C)C
InChIInChI=1S/C21H32N2O/c1-4-9-21(24)17-22(14-18(2)3)16-20-12-8-13-23(20)15-19-10-6-5-7-11-19/h5-8,10-13,18,21,24H,4,9,14-17H2,1-3H3/t21-/m1/s1
InChIKeyAMYXFPHABMZQPE-OAQYLSRUSA-N
XLogP4.16
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[(1-benzylpyrrol-2-yl)methyl-(2-methylpropyl)amino]pentan-2-ol with MolForge

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Related Compounds

1-[(1-benzylpyrrol-2-yl)methyl-(3-methylbutyl)amino]butan-2-ol
CID 42794643
(2S)-1-[(1-benzylpyrrol-2-yl)methyl-(2-methylpropyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 7362396
1-[[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-(3-methylbutyl)amino]pentan-2-ol
CID 42794821
(2R)-1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methoxyethyl)amino]pentan-2-ol
CID 93116158
(2R)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-3-phenylmethoxypropan-2-ol
CID 7419693
(2S)-1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methylbutyl)amino]butan-2-ol
CID 7297443
1-methoxy-3-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol
CID 42794946
1-[[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-(2-methoxyethyl)amino]pentan-2-ol
CID 46128305
(2R)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol
CID 7337516
1-[[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)amino]pentan-2-ol
CID 42794831
(2R)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methoxyethyl)amino]pentan-2-ol
CID 7399345
(2R)-1-[(1-benzylpyrrol-2-yl)methyl-prop-2-enylamino]propan-2-ol
CID 7338461

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1-benzylpyrrol-2-yl)methyl-(2-methylpropyl)amino]pentan-2-ol?
The IUPAC name of (2R)-1-[(1-benzylpyrrol-2-yl)methyl-(2-methylpropyl)amino]pentan-2-ol (CID 7431496) is (2R)-1-[(1-benzylpyrrol-2-yl)methyl-(2-methylpropyl)amino]pentan-2-ol.
What is the SMILES notation for (2R)-1-[(1-benzylpyrrol-2-yl)methyl-(2-methylpropyl)amino]pentan-2-ol?
The canonical SMILES for (2R)-1-[(1-benzylpyrrol-2-yl)methyl-(2-methylpropyl)amino]pentan-2-ol is CCC[C@@H](O)CN(Cc1cccn1Cc1ccccc1)CC(C)C.
What is the InChIKey of (2R)-1-[(1-benzylpyrrol-2-yl)methyl-(2-methylpropyl)amino]pentan-2-ol?
The InChIKey is AMYXFPHABMZQPE-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H32N2O/c1-4-9-21(24)17-22(14-18(2)3)16-20-12-8-13-23(20)15-19-10-6-5-7-11-19/h5-8,10-13,18,21,24H,4,9,14-17H2,1-3H3/t21-/m1/s1.
What are the key properties of (2R)-1-[(1-benzylpyrrol-2-yl)methyl-(2-methylpropyl)amino]pentan-2-ol?
(2R)-1-[(1-benzylpyrrol-2-yl)methyl-(2-methylpropyl)amino]pentan-2-ol has a molecular weight of 328.50 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1-benzylpyrrol-2-yl)methyl-(2-methylpropyl)amino]pentan-2-ol is sourced from PubChem (CID 7431496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).