4-(2-aminobutyl)-2-fluoro-6-methoxyphenol;hydrochloride

C11H17ClFNO2 — CID 170889186

IUPAC4-(2-aminobutyl)-2-fluoro-6-methoxyphenol;hydrochloride
SMILESCCC(N)Cc1cc(F)c(O)c(OC)c1.Cl
InChIInChI=1S/C11H16FNO2.ClH/c1-3-8(13)4-7-5-9(12)11(14)10(6-7)15-2;/h5-6,8,14H,3-4,13H2,1-2H3;1H
InChIKeyJJCAXRUAPDUROH-UHFFFAOYSA-N
MW249.71 g/mol
LogP2.24
Rot. Bonds4

About 4-(2-aminobutyl)-2-fluoro-6-methoxyphenol;hydrochloride

4-(2-aminobutyl)-2-fluoro-6-methoxyphenol;hydrochloride (PubChem CID 170889186) has the molecular formula C11H17ClFNO2 and a molecular weight of 249.71 g/mol. Its IUPAC name is 4-(2-aminobutyl)-2-fluoro-6-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-(2-aminobutyl)-2-fluoro-6-methoxyphenol;hydrochloride
PubChem CID170889186
Molecular FormulaC11H17ClFNO2
Molecular Weight249.71 g/mol
Exact Mass249.09
IUPAC Name4-(2-aminobutyl)-2-fluoro-6-methoxyphenol;hydrochloride
SMILESCCC(N)Cc1cc(F)c(O)c(OC)c1.Cl
InChIInChI=1S/C11H16FNO2.ClH/c1-3-8(13)4-7-5-9(12)11(14)10(6-7)15-2;/h5-6,8,14H,3-4,13H2,1-2H3;1H
InChIKeyJJCAXRUAPDUROH-UHFFFAOYSA-N
XLogP2.24
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.71
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxy-3,5-dimethoxyphenyl)butan-2-amine
CID 60907779
1-[3,5-difluoro-4-(2-methoxyethoxy)phenyl]butan-2-amine
CID 79888080
4-(2-aminobutyl)-2,6-difluoro-N-methyl-N-propan-2-ylaniline
CID 63787264
1-[4-(2-bromoprop-2-enoxy)-3,5-dimethoxyphenyl]butan-2-amine
CID 60907286
4-[(1-aminocyclopropyl)methyl]-2-fluoro-6-methoxyphenol
CID 117301384
1-(2,5-difluoro-4-methoxyphenyl)butan-2-amine
CID 170890367
4-(2-amino-3-hydroxypropyl)-2-iodo-6-methoxyphenol
CID 170891887
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 107693284
1-(4-butan-2-yloxy-3,5-difluorophenyl)butan-2-amine
CID 79887538
1-[4-(3-fluoropropoxy)-3-methoxyphenyl]butan-2-amine
CID 81114497
1-(3-fluoro-4-phenylmethoxyphenyl)butan-2-amine
CID 107693258
1-(3-chloro-4-ethoxy-5-fluorophenyl)butan-2-amine
CID 170890061

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-2-fluoro-6-methoxyphenol;hydrochloride?
The IUPAC name of 4-(2-aminobutyl)-2-fluoro-6-methoxyphenol;hydrochloride (CID 170889186) is 4-(2-aminobutyl)-2-fluoro-6-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-(2-aminobutyl)-2-fluoro-6-methoxyphenol;hydrochloride?
The canonical SMILES for 4-(2-aminobutyl)-2-fluoro-6-methoxyphenol;hydrochloride is CCC(N)Cc1cc(F)c(O)c(OC)c1.Cl.
What is the InChIKey of 4-(2-aminobutyl)-2-fluoro-6-methoxyphenol;hydrochloride?
The InChIKey is JJCAXRUAPDUROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2.ClH/c1-3-8(13)4-7-5-9(12)11(14)10(6-7)15-2;/h5-6,8,14H,3-4,13H2,1-2H3;1H.
What are the key properties of 4-(2-aminobutyl)-2-fluoro-6-methoxyphenol;hydrochloride?
4-(2-aminobutyl)-2-fluoro-6-methoxyphenol;hydrochloride has a molecular weight of 249.71 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-2-fluoro-6-methoxyphenol;hydrochloride is sourced from PubChem (CID 170889186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).