(2R)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol

C19H27FN2O — CID 7337516

IUPAC(2R)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol
SMILESCC(C)CN(Cc1cccn1Cc1cccc(F)c1)C[C@@H](C)O
InChIInChI=1S/C19H27FN2O/c1-15(2)11-21(12-16(3)23)14-19-8-5-9-22(19)13-17-6-4-7-18(20)10-17/h4-10,15-16,23H,11-14H2,1-3H3/t16-/m1/s1
InChIKeyZABWVHASPHLYCI-MRXNPFEDSA-N
MW318.44 g/mol
LogP3.51
Rot. Bonds8

About (2R)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol

(2R)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol (PubChem CID 7337516) has the molecular formula C19H27FN2O and a molecular weight of 318.44 g/mol. Its IUPAC name is (2R)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol
PubChem CID7337516
Molecular FormulaC19H27FN2O
Molecular Weight318.44 g/mol
Exact Mass318.21
IUPAC Name(2R)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol
SMILESCC(C)CN(Cc1cccn1Cc1cccc(F)c1)C[C@@H](C)O
InChIInChI=1S/C19H27FN2O/c1-15(2)11-21(12-16(3)23)14-19-8-5-9-22(19)13-17-6-4-7-18(20)10-17/h4-10,15-16,23H,11-14H2,1-3H3/t16-/m1/s1
InChIKeyZABWVHASPHLYCI-MRXNPFEDSA-N
XLogP3.51
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol with MolForge

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Related Compounds

(2S)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methoxyethyl)amino]propan-2-ol
CID 7237475
(2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol
CID 7231467
2-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methylbutyl)amino]-2-methylpropan-1-ol
CID 7415378
2-chloro-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 3267120
1-methoxy-3-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol
CID 42794946
(2S)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol
CID 7495557
(2R)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methoxyethyl)amino]pentan-2-ol
CID 7399345
2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-1-phenylethanol
CID 42794939
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)-3-phenylprop-2-enamide
CID 4660975
(2R)-1-[(1-benzylpyrrol-2-yl)methyl-(2-methylpropyl)amino]pentan-2-ol
CID 7431496
1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-(3-methylphenyl)-1-(2-methylpropyl)urea
CID 4315921
1-[benzyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-ol
CID 42794741

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol (CID 7337516) is (2R)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol is CC(C)CN(Cc1cccn1Cc1cccc(F)c1)C[C@@H](C)O.
What is the InChIKey of (2R)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol?
The InChIKey is ZABWVHASPHLYCI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27FN2O/c1-15(2)11-21(12-16(3)23)14-19-8-5-9-22(19)13-17-6-4-7-18(20)10-17/h4-10,15-16,23H,11-14H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol?
(2R)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol has a molecular weight of 318.44 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol is sourced from PubChem (CID 7337516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).