1-(2-fluoro-6-methoxyphenyl)butan-2-amine;hydrochloride

C11H17ClFNO — CID 170889150

IUPAC1-(2-fluoro-6-methoxyphenyl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1c(F)cccc1OC.Cl
InChIInChI=1S/C11H16FNO.ClH/c1-3-8(13)7-9-10(12)5-4-6-11(9)14-2;/h4-6,8H,3,7,13H2,1-2H3;1H
InChIKeyIFFSGEXAMBJMLG-UHFFFAOYSA-N
MW233.71 g/mol
LogP2.54
Rot. Bonds4

About 1-(2-fluoro-6-methoxyphenyl)butan-2-amine;hydrochloride

1-(2-fluoro-6-methoxyphenyl)butan-2-amine;hydrochloride (PubChem CID 170889150) has the molecular formula C11H17ClFNO and a molecular weight of 233.71 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxyphenyl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxyphenyl)butan-2-amine;hydrochloride
PubChem CID170889150
Molecular FormulaC11H17ClFNO
Molecular Weight233.71 g/mol
Exact Mass233.10
IUPAC Name1-(2-fluoro-6-methoxyphenyl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1c(F)cccc1OC.Cl
InChIInChI=1S/C11H16FNO.ClH/c1-3-8(13)7-9-10(12)5-4-6-11(9)14-2;/h4-6,8H,3,7,13H2,1-2H3;1H
InChIKeyIFFSGEXAMBJMLG-UHFFFAOYSA-N
XLogP2.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.71
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluoro-3-methoxyphenyl)butan-2-amine;hydrochloride
CID 170889477
1-(2,3-difluoro-6-methoxyphenyl)butan-2-amine;hydrochloride
CID 170889458
methyl 2-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
CID 83810004
1-amino-3-(2-fluoro-6-methoxyphenyl)propan-2-ol
CID 83442464
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
1-(2-methoxynaphthalen-1-yl)butan-2-amine;hydrochloride
CID 170888490
1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine
CID 63817705
1-[2-fluoro-6-(2-methoxyethylsulfanyl)phenyl]butan-2-amine
CID 114066518
(1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride
CID 171210621
1-[(2,6-difluorophenyl)methoxy]butan-2-amine
CID 102548785
1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 105035587
3-amino-1-(2,6-dimethoxyphenyl)pentan-1-one
CID 116811619

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxyphenyl)butan-2-amine;hydrochloride?
The IUPAC name of 1-(2-fluoro-6-methoxyphenyl)butan-2-amine;hydrochloride (CID 170889150) is 1-(2-fluoro-6-methoxyphenyl)butan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2-fluoro-6-methoxyphenyl)butan-2-amine;hydrochloride?
The canonical SMILES for 1-(2-fluoro-6-methoxyphenyl)butan-2-amine;hydrochloride is CCC(N)Cc1c(F)cccc1OC.Cl.
What is the InChIKey of 1-(2-fluoro-6-methoxyphenyl)butan-2-amine;hydrochloride?
The InChIKey is IFFSGEXAMBJMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO.ClH/c1-3-8(13)7-9-10(12)5-4-6-11(9)14-2;/h4-6,8H,3,7,13H2,1-2H3;1H.
What are the key properties of 1-(2-fluoro-6-methoxyphenyl)butan-2-amine;hydrochloride?
1-(2-fluoro-6-methoxyphenyl)butan-2-amine;hydrochloride has a molecular weight of 233.71 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxyphenyl)butan-2-amine;hydrochloride is sourced from PubChem (CID 170889150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).