1-[benzyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-ol

C22H25FN2O — CID 42794741

IUPAC1-[benzyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-ol
SMILESCC(O)CN(Cc1ccccc1)Cc1cccn1Cc1ccccc1F
InChIInChI=1S/C22H25FN2O/c1-18(26)14-24(15-19-8-3-2-4-9-19)17-21-11-7-13-25(21)16-20-10-5-6-12-22(20)23/h2-13,18,26H,14-17H2,1H3
InChIKeyVQCPGJFAEXRHPY-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.06
Rot. Bonds8

About 1-[benzyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-ol

1-[benzyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-ol (PubChem CID 42794741) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is 1-[benzyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[benzyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-ol
PubChem CID42794741
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name1-[benzyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-ol
SMILESCC(O)CN(Cc1ccccc1)Cc1cccn1Cc1ccccc1F
InChIInChI=1S/C22H25FN2O/c1-18(26)14-24(15-19-8-3-2-4-9-19)17-21-11-7-13-25(21)16-20-10-5-6-12-22(20)23/h2-13,18,26H,14-17H2,1H3
InChIKeyVQCPGJFAEXRHPY-UHFFFAOYSA-N
XLogP4.06
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[benzyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-ol with MolForge

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Related Compounds

(2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol
CID 7231467
(2R)-1-[benzyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol
CID 7409827
(2R)-1-[(1-benzylpyrrol-2-yl)methyl-prop-2-enylamino]propan-2-ol
CID 7338461
N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine
CID 7373189
[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-[(2S)-2-hydroxypropyl]-(2-methylpropyl)azanium
CID 7231466
(2R)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol
CID 7337516
1-[cyclopropyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol
CID 42794758
(2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylamino]hex-5-en-2-ol
CID 7296045
1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylamino]-3-methoxypropan-2-ol
CID 42794797
(2R)-1-[cyclohexylmethyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]pentan-2-ol
CID 7364927
(2S)-1-[cyclohexylmethyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]pentan-2-ol
CID 7364924
N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-[(4-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 46128360

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-ol?
The IUPAC name of 1-[benzyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-ol (CID 42794741) is 1-[benzyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-ol.
What is the SMILES notation for 1-[benzyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-ol?
The canonical SMILES for 1-[benzyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-ol is CC(O)CN(Cc1ccccc1)Cc1cccn1Cc1ccccc1F.
What is the InChIKey of 1-[benzyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-ol?
The InChIKey is VQCPGJFAEXRHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c1-18(26)14-24(15-19-8-3-2-4-9-19)17-21-11-7-13-25(21)16-20-10-5-6-12-22(20)23/h2-13,18,26H,14-17H2,1H3.
What are the key properties of 1-[benzyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-ol?
1-[benzyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-ol has a molecular weight of 352.45 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-ol is sourced from PubChem (CID 42794741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).