N-[(1-benzylpyrrol-2-yl)methyl]-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine

C26H33N3O2 — CID 7331033

IUPACN-[(1-benzylpyrrol-2-yl)methyl]-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
SMILESCOc1cccc(CN(CCN2CCOCC2)Cc2cccn2Cc2ccccc2)c1
InChIInChI=1S/C26H33N3O2/c1-30-26-11-5-9-24(19-26)20-28(14-13-27-15-17-31-18-16-27)22-25-10-6-12-29(25)21-23-7-3-2-4-8-23/h2-12,19H,13-18,20-22H2,1H3
InChIKeyLXRCKXVIKFPZQN-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.88
Rot. Bonds10

About N-[(1-benzylpyrrol-2-yl)methyl]-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine

N-[(1-benzylpyrrol-2-yl)methyl]-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 7331033) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[(1-benzylpyrrol-2-yl)methyl]-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(1-benzylpyrrol-2-yl)methyl]-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
PubChem CID7331033
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-[(1-benzylpyrrol-2-yl)methyl]-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
SMILESCOc1cccc(CN(CCN2CCOCC2)Cc2cccn2Cc2ccccc2)c1
InChIInChI=1S/C26H33N3O2/c1-30-26-11-5-9-24(19-26)20-28(14-13-27-15-17-31-18-16-27)22-25-10-6-12-29(25)21-23-7-3-2-4-8-23/h2-12,19H,13-18,20-22H2,1H3
InChIKeyLXRCKXVIKFPZQN-UHFFFAOYSA-N
XLogP3.88
TPSA29.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.88
H-Bond Donors ≤ 50
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-[(3-methoxyphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine
CID 42795101
N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-morpholin-4-ylethanamine
CID 7201677
N-[2-[(1-benzylpyrrol-2-yl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 5169582
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
2-[[2-morpholin-4-ylethyl-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]amino]methyl]benzonitrile
CID 42795194
2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-1-phenylethanol
CID 42794939
2-[[(3-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-[(1S)-1-phenylethyl]-1,3-oxazole-4-carboxamide
CID 93158014
4-[3-[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]propyl]morpholine
CID 170871078
N-[(2-methoxy-5-phenylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 46961440
1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
CID 46006818
N-[(1-benzylpyrrol-2-yl)methyl]-3-methoxy-N-[(4-methylphenyl)methyl]propan-1-amine
CID 7226372

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine (CID 7331033) is N-[(1-benzylpyrrol-2-yl)methyl]-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(1-benzylpyrrol-2-yl)methyl]-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(1-benzylpyrrol-2-yl)methyl]-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine is COc1cccc(CN(CCN2CCOCC2)Cc2cccn2Cc2ccccc2)c1.
What is the InChIKey of N-[(1-benzylpyrrol-2-yl)methyl]-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is LXRCKXVIKFPZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-30-26-11-5-9-24(19-26)20-28(14-13-27-15-17-31-18-16-27)22-25-10-6-12-29(25)21-23-7-3-2-4-8-23/h2-12,19H,13-18,20-22H2,1H3.
What are the key properties of N-[(1-benzylpyrrol-2-yl)methyl]-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine?
N-[(1-benzylpyrrol-2-yl)methyl]-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 419.57 g/mol, XLogP of 3.88, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrol-2-yl)methyl]-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 7331033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).