N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-morpholin-4-ylethanamine

C26H32FN3O — CID 7201677

IUPACN-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-morpholin-4-ylethanamine
SMILESCc1cccc(Cn2cccc2CN(CCN2CCOCC2)Cc2ccccc2F)c1
InChIInChI=1S/C26H32FN3O/c1-22-6-4-7-23(18-22)19-30-11-5-9-25(30)21-29(13-12-28-14-16-31-17-15-28)20-24-8-2-3-10-26(24)27/h2-11,18H,12-17,19-21H2,1H3
InChIKeyQINRQVGOXPBGCM-UHFFFAOYSA-N
MW421.56 g/mol
LogP4.32
Rot. Bonds9

About N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-morpholin-4-ylethanamine

N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-morpholin-4-ylethanamine (PubChem CID 7201677) has the molecular formula C26H32FN3O and a molecular weight of 421.56 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-morpholin-4-ylethanamine
PubChem CID7201677
Molecular FormulaC26H32FN3O
Molecular Weight421.56 g/mol
Exact Mass421.25
IUPAC NameN-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-morpholin-4-ylethanamine
SMILESCc1cccc(Cn2cccc2CN(CCN2CCOCC2)Cc2ccccc2F)c1
InChIInChI=1S/C26H32FN3O/c1-22-6-4-7-23(18-22)19-30-11-5-9-25(30)21-29(13-12-28-14-16-31-17-15-28)20-24-8-2-3-10-26(24)27/h2-11,18H,12-17,19-21H2,1H3
InChIKeyQINRQVGOXPBGCM-UHFFFAOYSA-N
XLogP4.32
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.56
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine
CID 7373189
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-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol
CID 42795027
N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-pyrrolidin-1-ylethanamine
CID 3387137
1-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylamino]-3-morpholin-4-ylpropan-2-ol
CID 42794798
2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-morpholin-4-ylethyl)amino]-2-methylpropan-1-ol
CID 7207228
(2R)-1-[(3-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenylpropan-2-ol
CID 93162213
N-[(4-tert-butylphenyl)methyl]-2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 7296815
N-[(3,5-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine
CID 7288626
3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 174323463
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide
CID 90607368

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-morpholin-4-ylethanamine (CID 7201677) is N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-morpholin-4-ylethanamine is Cc1cccc(Cn2cccc2CN(CCN2CCOCC2)Cc2ccccc2F)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-morpholin-4-ylethanamine?
The InChIKey is QINRQVGOXPBGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O/c1-22-6-4-7-23(18-22)19-30-11-5-9-25(30)21-29(13-12-28-14-16-31-17-15-28)20-24-8-2-3-10-26(24)27/h2-11,18H,12-17,19-21H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-morpholin-4-ylethanamine?
N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-morpholin-4-ylethanamine has a molecular weight of 421.56 g/mol, XLogP of 4.32, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 7201677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).