4-[2-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]phenol

C23H26N2O3 — CID 119122680

IUPAC4-[2-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]phenol
SMILESCOc1ccc(OCc2ccccn2)c(CNC(C)Cc2ccc(O)cc2)c1
InChIInChI=1S/C23H26N2O3/c1-17(13-18-6-8-21(26)9-7-18)25-15-19-14-22(27-2)10-11-23(19)28-16-20-5-3-4-12-24-20/h3-12,14,17,25-26H,13,15-16H2,1-2H3
InChIKeyKPRZZXLTQPCZFF-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.10
Rot. Bonds9

About 4-[2-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]phenol

4-[2-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]phenol (PubChem CID 119122680) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-[2-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]phenol
PubChem CID119122680
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name4-[2-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]phenol
SMILESCOc1ccc(OCc2ccccn2)c(CNC(C)Cc2ccc(O)cc2)c1
InChIInChI=1S/C23H26N2O3/c1-17(13-18-6-8-21(26)9-7-18)25-15-19-14-22(27-2)10-11-23(19)28-16-20-5-3-4-12-24-20/h3-12,14,17,25-26H,13,15-16H2,1-2H3
InChIKeyKPRZZXLTQPCZFF-UHFFFAOYSA-N
XLogP4.10
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43276444
N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 119129654
2-ethylsulfonyl-N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 119112492
N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
CID 119108501
5-methoxy-2-(pyridin-2-ylmethoxy)aniline
CID 16775223
(2S)-4-methyl-2-(propan-2-ylamino)-1-[4-(pyridin-2-ylmethoxy)phenyl]pentan-3-one
CID 59915344
N-[(2,5-dimethoxyphenyl)methyl]butan-2-amine
CID 43177332
4-[[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol
CID 107696082
2-methyl-3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]butan-1-ol
CID 111448684
[5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 62697998
4-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]phenol
CID 61239059
N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine
CID 43276423

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]phenol?
The IUPAC name of 4-[2-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]phenol (CID 119122680) is 4-[2-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]phenol.
What is the SMILES notation for 4-[2-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]phenol?
The canonical SMILES for 4-[2-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]phenol is COc1ccc(OCc2ccccn2)c(CNC(C)Cc2ccc(O)cc2)c1.
What is the InChIKey of 4-[2-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]phenol?
The InChIKey is KPRZZXLTQPCZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-17(13-18-6-8-21(26)9-7-18)25-15-19-14-22(27-2)10-11-23(19)28-16-20-5-3-4-12-24-20/h3-12,14,17,25-26H,13,15-16H2,1-2H3.
What are the key properties of 4-[2-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]phenol?
4-[2-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]phenol has a molecular weight of 378.47 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]phenol is sourced from PubChem (CID 119122680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).