2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-1-phenylethanol

C25H32N2O2 — CID 42794939

IUPAC2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-1-phenylethanol
SMILESCOc1cccc(Cn2cccc2CN(CC(C)C)CC(O)c2ccccc2)c1
InChIInChI=1S/C25H32N2O2/c1-20(2)16-26(19-25(28)22-10-5-4-6-11-22)18-23-12-8-14-27(23)17-21-9-7-13-24(15-21)29-3/h4-15,20,25,28H,16-19H2,1-3H3
InChIKeyTXJUHLITOQDRJY-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.74
Rot. Bonds10

About 2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-1-phenylethanol

2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-1-phenylethanol (PubChem CID 42794939) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-1-phenylethanol
PubChem CID42794939
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-1-phenylethanol
SMILESCOc1cccc(Cn2cccc2CN(CC(C)C)CC(O)c2ccccc2)c1
InChIInChI=1S/C25H32N2O2/c1-20(2)16-26(19-25(28)22-10-5-4-6-11-22)18-23-12-8-14-27(23)17-21-9-7-13-24(15-21)29-3/h4-15,20,25,28H,16-19H2,1-3H3
InChIKeyTXJUHLITOQDRJY-UHFFFAOYSA-N
XLogP4.74
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-3-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol
CID 42794946
(2R)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol
CID 7337516
N-benzyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 4292187
N-[(3-methoxyphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine
CID 42795101
(2R)-1-[(1-benzylpyrrol-2-yl)methyl-(2-methylpropyl)amino]pentan-2-ol
CID 7431496
2-[2-methoxyethyl-[(3-methoxyphenyl)methyl]amino]-1-phenylethanol
CID 24713596
1-[cyclohexylmethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
CID 42794978
(2R)-1-[2-methoxyethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]hex-5-en-2-ol
CID 7415804
N-[2-[butan-2-yl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-3-methyl-N-(2-methylpropyl)butanamide
CID 42771347
N-[(1-benzylpyrrol-2-yl)methyl]-3-methoxy-N-propan-2-ylbenzamide
CID 3550888
N-benzyl-3-methoxy-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3975484
(2R)-1-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 7216350

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-1-phenylethanol?
The IUPAC name of 2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-1-phenylethanol (CID 42794939) is 2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-1-phenylethanol?
The canonical SMILES for 2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-1-phenylethanol is COc1cccc(Cn2cccc2CN(CC(C)C)CC(O)c2ccccc2)c1.
What is the InChIKey of 2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-1-phenylethanol?
The InChIKey is TXJUHLITOQDRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-20(2)16-26(19-25(28)22-10-5-4-6-11-22)18-23-12-8-14-27(23)17-21-9-7-13-24(15-21)29-3/h4-15,20,25,28H,16-19H2,1-3H3.
What are the key properties of 2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-1-phenylethanol?
2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-1-phenylethanol has a molecular weight of 392.54 g/mol, XLogP of 4.74, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-1-phenylethanol is sourced from PubChem (CID 42794939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).