2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol

C22H32FN3O2 — CID 42795027

IUPAC2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)N(CCN1CCOCC1)Cc1cccn1Cc1ccccc1F
InChIInChI=1S/C22H32FN3O2/c1-22(2,18-27)26(11-10-24-12-14-28-15-13-24)17-20-7-5-9-25(20)16-19-6-3-4-8-21(19)23/h3-9,27H,10-18H2,1-2H3
InChIKeyRMGSBFPAQHXYOR-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.58
Rot. Bonds9

About 2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol

2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol (PubChem CID 42795027) has the molecular formula C22H32FN3O2 and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol
PubChem CID42795027
Molecular FormulaC22H32FN3O2
Molecular Weight389.52 g/mol
Exact Mass389.25
IUPAC Name2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)N(CCN1CCOCC1)Cc1cccn1Cc1ccccc1F
InChIInChI=1S/C22H32FN3O2/c1-22(2,18-27)26(11-10-24-12-14-28-15-13-24)17-20-7-5-9-25(20)16-19-6-3-4-8-21(19)23/h3-9,27H,10-18H2,1-2H3
InChIKeyRMGSBFPAQHXYOR-UHFFFAOYSA-N
XLogP2.58
TPSA40.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol
CID 7207228
N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-morpholin-4-ylethanamine
CID 7201677
1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylamino]-3-morpholin-4-ylpropan-2-ol
CID 42794798
2-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methylbutyl)amino]-2-methylpropan-1-ol
CID 7415378
(2S)-1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]propan-2-ol
CID 7231467
1-[cyclopropyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol
CID 42794758
1-[benzyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-ol
CID 42794741
2-[[2-morpholin-4-ylethyl-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]amino]methyl]benzonitrile
CID 42795194
N-[(1-benzylpyrrol-2-yl)methyl]-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 7331033
2-[[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-(3-methoxypropyl)amino]-2-methylpropan-1-ol
CID 7265329
N-[(2-fluorophenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)-5-nitro-1H-imidazol-4-amine
CID 3790008
1-[(2-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 17066016

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol (CID 42795027) is 2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol is CC(C)(CO)N(CCN1CCOCC1)Cc1cccn1Cc1ccccc1F.
What is the InChIKey of 2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol?
The InChIKey is RMGSBFPAQHXYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN3O2/c1-22(2,18-27)26(11-10-24-12-14-28-15-13-24)17-20-7-5-9-25(20)16-19-6-3-4-8-21(19)23/h3-9,27H,10-18H2,1-2H3.
What are the key properties of 2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol?
2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol has a molecular weight of 389.52 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 42795027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).