2-[(2,6-dichlorophenyl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine

C13H18Cl2FN — CID 112566590

IUPAC2-[(2,6-dichlorophenyl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(F)(CN)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H18Cl2FN/c1-12(2,3)13(16,8-17)7-9-10(14)5-4-6-11(9)15/h4-6H,7-8,17H2,1-3H3
InChIKeyLZMIHRFYRKZMGK-UHFFFAOYSA-N
MW278.20 g/mol
LogP4.25
Rot. Bonds3

About 2-[(2,6-dichlorophenyl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine

2-[(2,6-dichlorophenyl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine (PubChem CID 112566590) has the molecular formula C13H18Cl2FN and a molecular weight of 278.20 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine
PubChem CID112566590
Molecular FormulaC13H18Cl2FN
Molecular Weight278.20 g/mol
Exact Mass277.08
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(F)(CN)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H18Cl2FN/c1-12(2,3)13(16,8-17)7-9-10(14)5-4-6-11(9)15/h4-6H,7-8,17H2,1-3H3
InChIKeyLZMIHRFYRKZMGK-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,6-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739420
2-fluoro-2-[(3-methoxyphenyl)methyl]-3,3-dimethylbutan-1-amine
CID 112566569
2-(2,3-dichlorophenyl)-2-fluoropropan-1-amine
CID 112565101
1-(2,6-dichlorophenyl)-3-methoxy-2-methylpropan-2-amine
CID 62622775
(2S)-2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42329945
2-[(2-chlorophenyl)methyl]-3-fluoro-2-methylpropan-1-amine
CID 84723815
N'-[(2,6-dichlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79645596
2-(2,3-dichlorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 57455746
1-chloro-2-(2,2-dimethylpropyl)-3-methylbenzene
CID 118259234
2-(2-chlorophenyl)-1,1-difluoroethanamine;hydrochloride
CID 67811893
3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
CID 112567073
3-amino-1-(2,6-dichlorophenyl)-4,4,4-trifluoro-3-methylbutan-2-one
CID 116592914

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine (CID 112566590) is 2-[(2,6-dichlorophenyl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine is CC(C)(C)C(F)(CN)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine?
The InChIKey is LZMIHRFYRKZMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2FN/c1-12(2,3)13(16,8-17)7-9-10(14)5-4-6-11(9)15/h4-6H,7-8,17H2,1-3H3.
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine?
2-[(2,6-dichlorophenyl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine has a molecular weight of 278.20 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 112566590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).