(2R)-1-[benzyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol

C24H30N2O — CID 7409827

IUPAC(2R)-1-[benzyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol
SMILESCC[C@@H](O)CN(Cc1ccccc1)Cc1cccn1Cc1ccccc1C
InChIInChI=1S/C24H30N2O/c1-3-24(27)19-25(16-21-11-5-4-6-12-21)18-23-14-9-15-26(23)17-22-13-8-7-10-20(22)2/h4-15,24,27H,3,16-19H2,1-2H3/t24-/m1/s1
InChIKeyNEARVSSMWZBJSH-XMMPIXPASA-N
MW362.52 g/mol
LogP4.62
Rot. Bonds9

About (2R)-1-[benzyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol

(2R)-1-[benzyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol (PubChem CID 7409827) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is (2R)-1-[benzyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[benzyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol
PubChem CID7409827
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name(2R)-1-[benzyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol
SMILESCC[C@@H](O)CN(Cc1ccccc1)Cc1cccn1Cc1ccccc1C
InChIInChI=1S/C24H30N2O/c1-3-24(27)19-25(16-21-11-5-4-6-12-21)18-23-14-9-15-26(23)17-22-13-8-7-10-20(22)2/h4-15,24,27H,3,16-19H2,1-2H3/t24-/m1/s1
InChIKeyNEARVSSMWZBJSH-XMMPIXPASA-N
XLogP4.62
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[benzyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol with MolForge

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Related Compounds

1-[benzyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-ol
CID 42794741
(2R)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-3-phenylmethoxypropan-2-ol
CID 7419693
1-[(1-benzylpyrrol-2-yl)methyl-(3-methylbutyl)amino]butan-2-ol
CID 42794643
1-[2-methoxyethyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]pentan-2-ol
CID 42794861
3-methyl-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]butan-2-ol
CID 42794839
(2R)-1-[3-methylbutyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7207225
N-benzyl-4-fluoro-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 5041537
1-[(4-fluorophenyl)methyl-[(1-methylpyrrol-2-yl)methyl]amino]butan-2-ol
CID 24713180
N-benzyl-2-chloro-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide
CID 3646674
N-benzyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]hexanamide
CID 5191452
(2R)-1-[(1-benzylpyrrol-2-yl)methyl-(2-methylpropyl)amino]pentan-2-ol
CID 7431496
1-[cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methylbutan-2-ol
CID 42794850

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[benzyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol?
The IUPAC name of (2R)-1-[benzyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol (CID 7409827) is (2R)-1-[benzyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol.
What is the SMILES notation for (2R)-1-[benzyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol?
The canonical SMILES for (2R)-1-[benzyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol is CC[C@@H](O)CN(Cc1ccccc1)Cc1cccn1Cc1ccccc1C.
What is the InChIKey of (2R)-1-[benzyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol?
The InChIKey is NEARVSSMWZBJSH-XMMPIXPASA-N. The full InChI is InChI=1S/C24H30N2O/c1-3-24(27)19-25(16-21-11-5-4-6-12-21)18-23-14-9-15-26(23)17-22-13-8-7-10-20(22)2/h4-15,24,27H,3,16-19H2,1-2H3/t24-/m1/s1.
What are the key properties of (2R)-1-[benzyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol?
(2R)-1-[benzyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol has a molecular weight of 362.52 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[benzyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol is sourced from PubChem (CID 7409827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).