5-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylphenol

C18H23NO2 — CID 107699770

IUPAC5-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylphenol
SMILESCOc1ccc(CCC(C)Nc2ccc(C)c(O)c2)cc1
InChIInChI=1S/C18H23NO2/c1-13-4-9-16(12-18(13)20)19-14(2)5-6-15-7-10-17(21-3)11-8-15/h4,7-12,14,19-20H,5-6H2,1-3H3
InChIKeyQOWOJNJZEYJSPY-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.14
Rot. Bonds6

About 5-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylphenol

5-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylphenol (PubChem CID 107699770) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylphenol.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylphenol
PubChem CID107699770
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name5-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylphenol
SMILESCOc1ccc(CCC(C)Nc2ccc(C)c(O)c2)cc1
InChIInChI=1S/C18H23NO2/c1-13-4-9-16(12-18(13)20)19-14(2)5-6-15-7-10-17(21-3)11-8-15/h4,7-12,14,19-20H,5-6H2,1-3H3
InChIKeyQOWOJNJZEYJSPY-UHFFFAOYSA-N
XLogP4.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 43786115
3,5-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 43760298
3-chloro-5-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 107364132
2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol
CID 10806259
3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline
CID 29291478
N-[5-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylphenyl]methanesulfonamide
CID 75509356
4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 43508755
2,6-dibromo-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 107597022
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
N-[4-(4-methoxyphenyl)butan-2-yl]-2,5-dimethylpyrrol-1-amine
CID 79090719
ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate
CID 54351907
4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine
CID 60913277

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylphenol?
The IUPAC name of 5-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylphenol (CID 107699770) is 5-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylphenol.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylphenol?
The canonical SMILES for 5-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylphenol is COc1ccc(CCC(C)Nc2ccc(C)c(O)c2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylphenol?
The InChIKey is QOWOJNJZEYJSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-4-9-16(12-18(13)20)19-14(2)5-6-15-7-10-17(21-3)11-8-15/h4,7-12,14,19-20H,5-6H2,1-3H3.
What are the key properties of 5-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylphenol?
5-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylphenol has a molecular weight of 285.39 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylphenol is sourced from PubChem (CID 107699770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).