1-(2,6-difluoro-3-methoxyphenyl)butan-2-amine;hydrochloride

C11H16ClF2NO — CID 170889477

IUPAC1-(2,6-difluoro-3-methoxyphenyl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1c(F)ccc(OC)c1F.Cl
InChIInChI=1S/C11H15F2NO.ClH/c1-3-7(14)6-8-9(12)4-5-10(15-2)11(8)13;/h4-5,7H,3,6,14H2,1-2H3;1H
InChIKeyAZPPWMXUXOJMIT-UHFFFAOYSA-N
MW251.70 g/mol
LogP2.67
Rot. Bonds4

About 1-(2,6-difluoro-3-methoxyphenyl)butan-2-amine;hydrochloride

1-(2,6-difluoro-3-methoxyphenyl)butan-2-amine;hydrochloride (PubChem CID 170889477) has the molecular formula C11H16ClF2NO and a molecular weight of 251.70 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methoxyphenyl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methoxyphenyl)butan-2-amine;hydrochloride
PubChem CID170889477
Molecular FormulaC11H16ClF2NO
Molecular Weight251.70 g/mol
Exact Mass251.09
IUPAC Name1-(2,6-difluoro-3-methoxyphenyl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1c(F)ccc(OC)c1F.Cl
InChIInChI=1S/C11H15F2NO.ClH/c1-3-7(14)6-8-9(12)4-5-10(15-2)11(8)13;/h4-5,7H,3,6,14H2,1-2H3;1H
InChIKeyAZPPWMXUXOJMIT-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.70
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluoro-6-methoxyphenyl)butan-2-amine;hydrochloride
CID 170889458
1-(2-fluoro-6-methoxyphenyl)butan-2-amine;hydrochloride
CID 170889150
(2S)-2-amino-3-(2,6-difluoro-3-methoxyphenyl)propanoic acid
CID 93478159
2-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 10797664
1-(2-methoxynaphthalen-1-yl)butan-2-amine;hydrochloride
CID 170888490
1-(2,3,4,5,6-pentafluorophenyl)butan-2-amine;hydrochloride
CID 170888418
O-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine
CID 117291282
(1S)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine;hydrochloride
CID 171235359
1-(2,5-difluoro-4-methoxyphenyl)butan-2-amine
CID 170890367
4-(2-aminobutyl)-2-fluoro-6-methoxyphenol;hydrochloride
CID 170889186
(1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine
CID 171215725
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methoxyphenyl)butan-2-amine;hydrochloride?
The IUPAC name of 1-(2,6-difluoro-3-methoxyphenyl)butan-2-amine;hydrochloride (CID 170889477) is 1-(2,6-difluoro-3-methoxyphenyl)butan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2,6-difluoro-3-methoxyphenyl)butan-2-amine;hydrochloride?
The canonical SMILES for 1-(2,6-difluoro-3-methoxyphenyl)butan-2-amine;hydrochloride is CCC(N)Cc1c(F)ccc(OC)c1F.Cl.
What is the InChIKey of 1-(2,6-difluoro-3-methoxyphenyl)butan-2-amine;hydrochloride?
The InChIKey is AZPPWMXUXOJMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO.ClH/c1-3-7(14)6-8-9(12)4-5-10(15-2)11(8)13;/h4-5,7H,3,6,14H2,1-2H3;1H.
What are the key properties of 1-(2,6-difluoro-3-methoxyphenyl)butan-2-amine;hydrochloride?
1-(2,6-difluoro-3-methoxyphenyl)butan-2-amine;hydrochloride has a molecular weight of 251.70 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methoxyphenyl)butan-2-amine;hydrochloride is sourced from PubChem (CID 170889477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).