1-(2,6-difluorophenyl)butan-1-amine;hydrochloride

C10H14ClF2N — CID 86262880

IUPAC1-(2,6-difluorophenyl)butan-1-amine;hydrochloride
SMILESCCCC(N)c1c(F)cccc1F.Cl
InChIInChI=1S/C10H13F2N.ClH/c1-2-4-9(13)10-7(11)5-3-6-8(10)12;/h3,5-6,9H,2,4,13H2,1H3;1H
InChIKeyDTRLUCVZPTURJD-UHFFFAOYSA-N
MW221.68 g/mol
LogP3.19
Rot. Bonds3

About 1-(2,6-difluorophenyl)butan-1-amine;hydrochloride

1-(2,6-difluorophenyl)butan-1-amine;hydrochloride (PubChem CID 86262880) has the molecular formula C10H14ClF2N and a molecular weight of 221.68 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)butan-1-amine;hydrochloride
PubChem CID86262880
Molecular FormulaC10H14ClF2N
Molecular Weight221.68 g/mol
Exact Mass221.08
IUPAC Name1-(2,6-difluorophenyl)butan-1-amine;hydrochloride
SMILESCCCC(N)c1c(F)cccc1F.Cl
InChIInChI=1S/C10H13F2N.ClH/c1-2-4-9(13)10-7(11)5-3-6-8(10)12;/h3,5-6,9H,2,4,13H2,1H3;1H
InChIKeyDTRLUCVZPTURJD-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.68
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171223663
(1S)-1-(2,6-dichlorophenyl)butan-1-amine;hydrochloride
CID 171217430
1-(2,6-difluorophenyl)-4-ethylsulfonylbutan-1-amine
CID 79522023
1-(2,6-dimethylphenyl)butan-1-amine
CID 55283008
(4S)-4-amino-4-(2,6-difluorophenyl)butan-1-ol
CID 102516083
(1S)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine;hydrochloride
CID 171235359
1-(2,6-dichlorophenyl)butan-1-amine
CID 112693515
(1S)-1-(2,6-dichlorophenyl)butan-1-amine
CID 130714755
(1S)-1-(2-fluoro-6-methoxyphenyl)pentan-1-amine
CID 171230231
(1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine
CID 171215725
2-[(1S)-1-aminobutyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171253553
1-(3-fluorophenyl)butan-1-amine;hydrochloride
CID 86262882

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)butan-1-amine;hydrochloride?
The IUPAC name of 1-(2,6-difluorophenyl)butan-1-amine;hydrochloride (CID 86262880) is 1-(2,6-difluorophenyl)butan-1-amine;hydrochloride.
What is the SMILES notation for 1-(2,6-difluorophenyl)butan-1-amine;hydrochloride?
The canonical SMILES for 1-(2,6-difluorophenyl)butan-1-amine;hydrochloride is CCCC(N)c1c(F)cccc1F.Cl.
What is the InChIKey of 1-(2,6-difluorophenyl)butan-1-amine;hydrochloride?
The InChIKey is DTRLUCVZPTURJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N.ClH/c1-2-4-9(13)10-7(11)5-3-6-8(10)12;/h3,5-6,9H,2,4,13H2,1H3;1H.
What are the key properties of 1-(2,6-difluorophenyl)butan-1-amine;hydrochloride?
1-(2,6-difluorophenyl)butan-1-amine;hydrochloride has a molecular weight of 221.68 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 86262880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).