N-[(2-methoxyphenyl)methyl]-N-[[(3R)-3-phenyloxolan-3-yl]methyl]-1-pyridin-3-ylmethanamine

C25H28N2O2 — CID 95046279

IUPACN-[(2-methoxyphenyl)methyl]-N-[[(3R)-3-phenyloxolan-3-yl]methyl]-1-pyridin-3-ylmethanamine
SMILESCOc1ccccc1CN(Cc1cccnc1)C[C@]1(c2ccccc2)CCOC1
InChIInChI=1S/C25H28N2O2/c1-28-24-12-6-5-9-22(24)18-27(17-21-8-7-14-26-16-21)19-25(13-15-29-20-25)23-10-3-2-4-11-23/h2-12,14,16H,13,15,17-20H2,1H3/t25-/m1/s1
InChIKeyDLMFYECBWGXXMD-RUZDIDTESA-N
MW388.51 g/mol
LogP4.45
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-N-[[(3R)-3-phenyloxolan-3-yl]methyl]-1-pyridin-3-ylmethanamine

N-[(2-methoxyphenyl)methyl]-N-[[(3R)-3-phenyloxolan-3-yl]methyl]-1-pyridin-3-ylmethanamine (PubChem CID 95046279) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-[[(3R)-3-phenyloxolan-3-yl]methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-[[(3R)-3-phenyloxolan-3-yl]methyl]-1-pyridin-3-ylmethanamine
PubChem CID95046279
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-[[(3R)-3-phenyloxolan-3-yl]methyl]-1-pyridin-3-ylmethanamine
SMILESCOc1ccccc1CN(Cc1cccnc1)C[C@]1(c2ccccc2)CCOC1
InChIInChI=1S/C25H28N2O2/c1-28-24-12-6-5-9-22(24)18-27(17-21-8-7-14-26-16-21)19-25(13-15-29-20-25)23-10-3-2-4-11-23/h2-12,14,16H,13,15,17-20H2,1H3/t25-/m1/s1
InChIKeyDLMFYECBWGXXMD-RUZDIDTESA-N
XLogP4.45
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
CID 46993097
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 51493246
N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 129340589
N-(1H-benzimidazol-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 46983929
2-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline
CID 142170864
N-[(2-methoxyphenyl)methyl]-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 46986491
N-[(2-methoxy-5-phenylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 46961440
(3R)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
CID 95046458
[3-[(2-methoxyphenyl)methyl]oxolan-3-yl]methanol
CID 66058999
2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide
CID 46997861
N-[(2-methoxyphenyl)methyl]-1-pyridin-3-yl-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]methanamine
CID 46999818
N-[(2-methoxyphenyl)methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 46989447

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[[(3R)-3-phenyloxolan-3-yl]methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[[(3R)-3-phenyloxolan-3-yl]methyl]-1-pyridin-3-ylmethanamine (CID 95046279) is N-[(2-methoxyphenyl)methyl]-N-[[(3R)-3-phenyloxolan-3-yl]methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-[[(3R)-3-phenyloxolan-3-yl]methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-[[(3R)-3-phenyloxolan-3-yl]methyl]-1-pyridin-3-ylmethanamine is COc1ccccc1CN(Cc1cccnc1)C[C@]1(c2ccccc2)CCOC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-[[(3R)-3-phenyloxolan-3-yl]methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is DLMFYECBWGXXMD-RUZDIDTESA-N. The full InChI is InChI=1S/C25H28N2O2/c1-28-24-12-6-5-9-22(24)18-27(17-21-8-7-14-26-16-21)19-25(13-15-29-20-25)23-10-3-2-4-11-23/h2-12,14,16H,13,15,17-20H2,1H3/t25-/m1/s1.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-[[(3R)-3-phenyloxolan-3-yl]methyl]-1-pyridin-3-ylmethanamine?
N-[(2-methoxyphenyl)methyl]-N-[[(3R)-3-phenyloxolan-3-yl]methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 388.51 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-[[(3R)-3-phenyloxolan-3-yl]methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 95046279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).