2-(aminomethyl)-3-[4-methoxy-3-(2-methoxy-5-pyridin-4-ylphenyl)phenyl]propan-1-ol

C23H26N2O3 — CID 166257819

IUPAC2-(aminomethyl)-3-[4-methoxy-3-(2-methoxy-5-pyridin-4-ylphenyl)phenyl]propan-1-ol
SMILESCOc1ccc(CC(CN)CO)cc1-c1cc(-c2ccncc2)ccc1OC
InChIInChI=1S/C23H26N2O3/c1-27-22-5-3-16(11-17(14-24)15-26)12-20(22)21-13-19(4-6-23(21)28-2)18-7-9-25-10-8-18/h3-10,12-13,17,26H,11,14-15,24H2,1-2H3
InChIKeyXYNLZESCLKYZGI-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.54
Rot. Bonds8

About 2-(aminomethyl)-3-[4-methoxy-3-(2-methoxy-5-pyridin-4-ylphenyl)phenyl]propan-1-ol

2-(aminomethyl)-3-[4-methoxy-3-(2-methoxy-5-pyridin-4-ylphenyl)phenyl]propan-1-ol (PubChem CID 166257819) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-(aminomethyl)-3-[4-methoxy-3-(2-methoxy-5-pyridin-4-ylphenyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-[4-methoxy-3-(2-methoxy-5-pyridin-4-ylphenyl)phenyl]propan-1-ol
PubChem CID166257819
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name2-(aminomethyl)-3-[4-methoxy-3-(2-methoxy-5-pyridin-4-ylphenyl)phenyl]propan-1-ol
SMILESCOc1ccc(CC(CN)CO)cc1-c1cc(-c2ccncc2)ccc1OC
InChIInChI=1S/C23H26N2O3/c1-27-22-5-3-16(11-17(14-24)15-26)12-20(22)21-13-19(4-6-23(21)28-2)18-7-9-25-10-8-18/h3-10,12-13,17,26H,11,14-15,24H2,1-2H3
InChIKeyXYNLZESCLKYZGI-UHFFFAOYSA-N
XLogP3.54
TPSA77.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-ol
CID 83926810
1-[5-[5-[2-(aminomethyl)-3-hydroxypropyl]-2-methoxyphenyl]pyrimidin-2-yl]piperidin-3-ol
CID 167744075
2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-ol
CID 170892877
(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
CID 42328832
[4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine
CID 172652225
[3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol
CID 642903
(4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine
CID 61075245
2-(aminomethyl)-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutan-1-ol
CID 83926807
4-[4-methoxy-3-[4-(tetrazol-1-yl)phenyl]phenyl]pyridine
CID 167816492
4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine;hydrochloride
CID 139864479
4-(3-methoxy-4-propan-2-ylphenyl)pyridine
CID 177192747
methyl (2S)-2-amino-3-(4-pyridin-4-ylphenyl)propanoate
CID 66719580

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-[4-methoxy-3-(2-methoxy-5-pyridin-4-ylphenyl)phenyl]propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-[4-methoxy-3-(2-methoxy-5-pyridin-4-ylphenyl)phenyl]propan-1-ol (CID 166257819) is 2-(aminomethyl)-3-[4-methoxy-3-(2-methoxy-5-pyridin-4-ylphenyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-[4-methoxy-3-(2-methoxy-5-pyridin-4-ylphenyl)phenyl]propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-[4-methoxy-3-(2-methoxy-5-pyridin-4-ylphenyl)phenyl]propan-1-ol is COc1ccc(CC(CN)CO)cc1-c1cc(-c2ccncc2)ccc1OC.
What is the InChIKey of 2-(aminomethyl)-3-[4-methoxy-3-(2-methoxy-5-pyridin-4-ylphenyl)phenyl]propan-1-ol?
The InChIKey is XYNLZESCLKYZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-27-22-5-3-16(11-17(14-24)15-26)12-20(22)21-13-19(4-6-23(21)28-2)18-7-9-25-10-8-18/h3-10,12-13,17,26H,11,14-15,24H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-[4-methoxy-3-(2-methoxy-5-pyridin-4-ylphenyl)phenyl]propan-1-ol?
2-(aminomethyl)-3-[4-methoxy-3-(2-methoxy-5-pyridin-4-ylphenyl)phenyl]propan-1-ol has a molecular weight of 378.47 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-[4-methoxy-3-(2-methoxy-5-pyridin-4-ylphenyl)phenyl]propan-1-ol is sourced from PubChem (CID 166257819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).