4-[3-(benzylamino)butyl]-2-methoxyphenol

C18H23NO2 — CID 562638

IUPAC4-[3-(benzylamino)butyl]-2-methoxyphenol
SMILESCOc1cc(CCC(C)NCc2ccccc2)ccc1O
InChIInChI=1S/C18H23NO2/c1-14(19-13-16-6-4-3-5-7-16)8-9-15-10-11-17(20)18(12-15)21-2/h3-7,10-12,14,19-20H,8-9,13H2,1-2H3
InChIKeyGEKRZHUGDNWIIB-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.51
Rot. Bonds7

About 4-[3-(benzylamino)butyl]-2-methoxyphenol

4-[3-(benzylamino)butyl]-2-methoxyphenol (PubChem CID 562638) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[3-(benzylamino)butyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-(benzylamino)butyl]-2-methoxyphenol
PubChem CID562638
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-[3-(benzylamino)butyl]-2-methoxyphenol
SMILESCOc1cc(CCC(C)NCc2ccccc2)ccc1O
InChIInChI=1S/C18H23NO2/c1-14(19-13-16-6-4-3-5-7-16)8-9-15-10-11-17(20)18(12-15)21-2/h3-7,10-12,14,19-20H,8-9,13H2,1-2H3
InChIKeyGEKRZHUGDNWIIB-UHFFFAOYSA-N
XLogP3.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(benzylamino)butyl]-2-methoxyphenol?
The IUPAC name of 4-[3-(benzylamino)butyl]-2-methoxyphenol (CID 562638) is 4-[3-(benzylamino)butyl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-(benzylamino)butyl]-2-methoxyphenol?
The canonical SMILES for 4-[3-(benzylamino)butyl]-2-methoxyphenol is COc1cc(CCC(C)NCc2ccccc2)ccc1O.
What is the InChIKey of 4-[3-(benzylamino)butyl]-2-methoxyphenol?
The InChIKey is GEKRZHUGDNWIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(19-13-16-6-4-3-5-7-16)8-9-15-10-11-17(20)18(12-15)21-2/h3-7,10-12,14,19-20H,8-9,13H2,1-2H3.
What are the key properties of 4-[3-(benzylamino)butyl]-2-methoxyphenol?
4-[3-(benzylamino)butyl]-2-methoxyphenol has a molecular weight of 285.39 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(benzylamino)butyl]-2-methoxyphenol is sourced from PubChem (CID 562638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).