2-methoxy-4-[5-(1-phenylbutylamino)-3-pyridinyl]phenol

C22H24N2O2 — CID 11163875

IUPAC2-methoxy-4-[5-(1-phenylbutylamino)-3-pyridinyl]phenol
SMILESCCCC(Nc1cncc(-c2ccc(O)c(OC)c2)c1)c1ccccc1
InChIInChI=1S/C22H24N2O2/c1-3-7-20(16-8-5-4-6-9-16)24-19-12-18(14-23-15-19)17-10-11-21(25)22(13-17)26-2/h4-6,8-15,20,24-25H,3,7H2,1-2H3
InChIKeyPZCTXAXFFNZQQI-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.42
Rot. Bonds7

About 2-methoxy-4-[5-(1-phenylbutylamino)-3-pyridinyl]phenol

2-methoxy-4-[5-(1-phenylbutylamino)-3-pyridinyl]phenol (PubChem CID 11163875) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-methoxy-4-[5-(1-phenylbutylamino)-3-pyridinyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[5-(1-phenylbutylamino)-3-pyridinyl]phenol
PubChem CID11163875
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-methoxy-4-[5-(1-phenylbutylamino)-3-pyridinyl]phenol
SMILESCCCC(Nc1cncc(-c2ccc(O)c(OC)c2)c1)c1ccccc1
InChIInChI=1S/C22H24N2O2/c1-3-7-20(16-8-5-4-6-9-16)24-19-12-18(14-23-15-19)17-10-11-21(25)22(13-17)26-2/h4-6,8-15,20,24-25H,3,7H2,1-2H3
InChIKeyPZCTXAXFFNZQQI-UHFFFAOYSA-N
XLogP5.42
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]amino]-2-phenylethanol
CID 123610587
5-methyl-N-(1-phenylbutyl)pyridin-3-amine
CID 113354141
2-methoxy-4-[6-(1-phenylpropylamino)pyrazin-2-yl]phenol
CID 135428154
2-[[5-(1,3-benzodioxol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 90220993
2-[[5-(3-chlorophenyl)-3-pyridinyl]amino]-2-phenylethanol
CID 123984384
4-[2-[1-(3-aminophenyl)butylamino]-4H-azepin-7-yl]-2-methoxyphenol
CID 163987506
2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol
CID 62304525
2,5-dimethoxy-N-(1-phenylbutyl)aniline
CID 43099657
6-[4-[4-(diethylamino)butoxy]-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;methane
CID 159299405
2-phenyl-2-[[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]ethanol
CID 123630878
3,5-difluoro-N-(1-phenylbutyl)aniline
CID 43095450
5-N-(1-phenylpropyl)pyridine-3,5-diamine
CID 104534194

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[5-(1-phenylbutylamino)-3-pyridinyl]phenol?
The IUPAC name of 2-methoxy-4-[5-(1-phenylbutylamino)-3-pyridinyl]phenol (CID 11163875) is 2-methoxy-4-[5-(1-phenylbutylamino)-3-pyridinyl]phenol.
What is the SMILES notation for 2-methoxy-4-[5-(1-phenylbutylamino)-3-pyridinyl]phenol?
The canonical SMILES for 2-methoxy-4-[5-(1-phenylbutylamino)-3-pyridinyl]phenol is CCCC(Nc1cncc(-c2ccc(O)c(OC)c2)c1)c1ccccc1.
What is the InChIKey of 2-methoxy-4-[5-(1-phenylbutylamino)-3-pyridinyl]phenol?
The InChIKey is PZCTXAXFFNZQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-7-20(16-8-5-4-6-9-16)24-19-12-18(14-23-15-19)17-10-11-21(25)22(13-17)26-2/h4-6,8-15,20,24-25H,3,7H2,1-2H3.
What are the key properties of 2-methoxy-4-[5-(1-phenylbutylamino)-3-pyridinyl]phenol?
2-methoxy-4-[5-(1-phenylbutylamino)-3-pyridinyl]phenol has a molecular weight of 348.45 g/mol, XLogP of 5.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[5-(1-phenylbutylamino)-3-pyridinyl]phenol is sourced from PubChem (CID 11163875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).