2-(2-aminobutyl)-5-phenylmethoxyphenol

C17H21NO2 — CID 170889335

IUPAC2-(2-aminobutyl)-5-phenylmethoxyphenol
SMILESCCC(N)Cc1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C17H21NO2/c1-2-15(18)10-14-8-9-16(11-17(14)19)20-12-13-6-4-3-5-7-13/h3-9,11,15,19H,2,10,12,18H2,1H3
InChIKeyREPMBZXOFJDTGP-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.25
Rot. Bonds6

About 2-(2-aminobutyl)-5-phenylmethoxyphenol

2-(2-aminobutyl)-5-phenylmethoxyphenol (PubChem CID 170889335) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(2-aminobutyl)-5-phenylmethoxyphenol.

Molecular Properties

Compound Name2-(2-aminobutyl)-5-phenylmethoxyphenol
PubChem CID170889335
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-(2-aminobutyl)-5-phenylmethoxyphenol
SMILESCCC(N)Cc1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C17H21NO2/c1-2-15(18)10-14-8-9-16(11-17(14)19)20-12-13-6-4-3-5-7-13/h3-9,11,15,19H,2,10,12,18H2,1H3
InChIKeyREPMBZXOFJDTGP-UHFFFAOYSA-N
XLogP3.25
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214454
4-(2-aminobutyl)benzene-1,3-diol
CID 43565996
2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol
CID 59768381
2-(2-methylbutyl)-4-phenylmethoxyaniline
CID 123653214
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine
CID 170864797
1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine
CID 107693258
2-[(1R)-1-amino-2-hydroxyethyl]-5-phenylmethoxyphenol;hydrochloride
CID 171234127
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine
CID 62699406
2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol
CID 171214455
2-phenyl-5-phenylmethoxyphenol
CID 123808909

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-5-phenylmethoxyphenol?
The IUPAC name of 2-(2-aminobutyl)-5-phenylmethoxyphenol (CID 170889335) is 2-(2-aminobutyl)-5-phenylmethoxyphenol.
What is the SMILES notation for 2-(2-aminobutyl)-5-phenylmethoxyphenol?
The canonical SMILES for 2-(2-aminobutyl)-5-phenylmethoxyphenol is CCC(N)Cc1ccc(OCc2ccccc2)cc1O.
What is the InChIKey of 2-(2-aminobutyl)-5-phenylmethoxyphenol?
The InChIKey is REPMBZXOFJDTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-15(18)10-14-8-9-16(11-17(14)19)20-12-13-6-4-3-5-7-13/h3-9,11,15,19H,2,10,12,18H2,1H3.
What are the key properties of 2-(2-aminobutyl)-5-phenylmethoxyphenol?
2-(2-aminobutyl)-5-phenylmethoxyphenol has a molecular weight of 271.36 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-5-phenylmethoxyphenol is sourced from PubChem (CID 170889335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).