N-[(2-methoxy-5-phenylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine

C26H31N3O2 — CID 46961440

IUPACN-[(2-methoxy-5-phenylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
SMILESCOc1ccc(-c2ccccc2)cc1CN(CCN1CCOCC1)Cc1cccnc1
InChIInChI=1S/C26H31N3O2/c1-30-26-10-9-24(23-7-3-2-4-8-23)18-25(26)21-29(20-22-6-5-11-27-19-22)13-12-28-14-16-31-17-15-28/h2-11,18-19H,12-17,20-21H2,1H3
InChIKeySICXPLQHANSVMG-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.09
Rot. Bonds9

About N-[(2-methoxy-5-phenylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine

N-[(2-methoxy-5-phenylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 46961440) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-[(2-methoxy-5-phenylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(2-methoxy-5-phenylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID46961440
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC NameN-[(2-methoxy-5-phenylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
SMILESCOc1ccc(-c2ccccc2)cc1CN(CCN1CCOCC1)Cc1cccnc1
InChIInChI=1S/C26H31N3O2/c1-30-26-10-9-24(23-7-3-2-4-8-23)18-25(26)21-29(20-22-6-5-11-27-19-22)13-12-28-14-16-31-17-15-28/h2-11,18-19H,12-17,20-21H2,1H3
InChIKeySICXPLQHANSVMG-UHFFFAOYSA-N
XLogP4.09
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-yl-N-(pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 43817948
N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 46953709
N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
CID 46993097
N-[(3,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 16677858
4-[[3-morpholin-4-ylpropyl(pyridin-3-ylmethyl)amino]methyl]phenol
CID 46961418
N-[(1-benzylpyrrol-2-yl)methyl]-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 7331033
N-[[1-(3-fluorophenyl)pyrrol-2-yl]methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 46953713
N-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 46961442
N-[[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171670153
1-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
CID 46006818
N-[(2-methoxyphenyl)methyl]-N-[[(3R)-3-phenyloxolan-3-yl]methyl]-1-pyridin-3-ylmethanamine
CID 95046279
2-[(3-fluoro-4-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
CID 111781092

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-phenylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of N-[(2-methoxy-5-phenylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine (CID 46961440) is N-[(2-methoxy-5-phenylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-[(2-methoxy-5-phenylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for N-[(2-methoxy-5-phenylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine is COc1ccc(-c2ccccc2)cc1CN(CCN1CCOCC1)Cc1cccnc1.
What is the InChIKey of N-[(2-methoxy-5-phenylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is SICXPLQHANSVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-30-26-10-9-24(23-7-3-2-4-8-23)18-25(26)21-29(20-22-6-5-11-27-19-22)13-12-28-14-16-31-17-15-28/h2-11,18-19H,12-17,20-21H2,1H3.
What are the key properties of N-[(2-methoxy-5-phenylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine?
N-[(2-methoxy-5-phenylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 417.55 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-phenylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 46961440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).